P0C

6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one

Created:	2014-05-16
Last modified:	2021-03-13

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1 entries where P0C is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	4
Bond Count	37
Aromatic Bond Count	0

2D diagram of P0C

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Chemical Component Summary
Name	6-methyl-3-(beta-D-ribofuranosyl)-3,7-dihydro-2H-pyrrolo[2,3-d]pyrimidin-2-one
Synonyms	6-Methyl-3-(beta-D-2-ribofuranosyl)pyrrolo[2,3-d] pyrimidin-2-one
Systematic Name (OpenEye OEToolkits)	3-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-2-one
Formula	C₁₂ H₁₅ N₃ O₅
Molecular Weight	281.265
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N=C3C(=CN1C2OC(C(O)C2O)CO)C=C(N3)C
SMILES	CACTVS	3.385	CC1=CC2=CN([CH]3O[CH](CO)[CH](O)[CH]3O)C(=O)N=C2N1
SMILES	OpenEye OEToolkits	1.9.2	CC1=CC2=CN(C(=O)N=C2N1)C3C(C(C(O3)CO)O)O
Canonical SMILES	CACTVS	3.385	CC1=CC2=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)N=C2N1
Canonical SMILES	OpenEye OEToolkits	1.9.2	CC1=CC2=CN(C(=O)N=C2N1)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI	InChI	1.03	InChI=1S/C12H15N3O5/c1-5-2-6-3-15(12(19)14-10(6)13-5)11-9(18)8(17)7(4-16)20-11/h2-3,7-9,11,16-18H,4H2,1H3,(H,13,14,19)/t7-,8-,9-,11-/m1/s1
InChIKey	InChI	1.03	GCNYJWODKQPZDE-TURQNECASA-N

Related Resource References

Resource Name	Reference
PubChem	69630326

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