7AP

(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL

Created:	2006-03-07
Last modified:	2021-03-01

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1 entries where 7AP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	2
Bond Count	30
Aromatic Bond Count	11

2D diagram of 7AP

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Chemical Component Summary
Name	(1S,2S)-1-(2,4-DIAMINOPTERIDIN-6-YL)PROPANE-1,2-DIOL
Synonyms	4-AMINOBIOPTERIN
Systematic Name (OpenEye OEToolkits)	(1S,2S)-1-(2,4-diaminopteridin-6-yl)propane-1,2-diol
Formula	C₉ H₁₂ N₆ O₂
Molecular Weight	236.231
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	n1c2c(ncc1C(O)C(O)C)nc(nc2N)N
SMILES	CACTVS	3.341	C[CH](O)[CH](O)c1cnc2nc(N)nc(N)c2n1
SMILES	OpenEye OEToolkits	1.5.0	CC(C(c1cnc2c(n1)c(nc(n2)N)N)O)O
Canonical SMILES	CACTVS	3.341	C[C@H](O)[C@@H](O)c1cnc2nc(N)nc(N)c2n1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]([C@H](c1cnc2c(n1)c(nc(n2)N)N)O)O
InChI	InChI	1.03	InChI=1S/C9H12N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h2-3,6,16-17H,1H3,(H4,10,11,12,14,15)/t3-,6+/m0/s1
InChIKey	InChI	1.03	ADPRPNXHOYFHIT-BBIVZNJYSA-N

Related Resource References

Resource Name	Reference
PubChem	9547941

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