Q7S

6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione

Created:2019-10-01
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count32
Chiral Atom Count0
Bond Count32
Aromatic Bond Count0
2D diagram of Q7S

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Chemical Component Summary

Name6-[(3-hydroxypropyl)amino]-5-[(E)-(2-oxopropylidene)amino]pyrimidine-2,4(1H,3H)-dione
Systematic Name (OpenEye OEToolkits)5-[(~{E})-2-oxidanylidenepropylideneamino]-6-(3-oxidanylpropylamino)-1~{H}-pyrimidine-2,4-dione
FormulaC10 H14 N4 O4
Molecular Weight254.243
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C(=O)([C@H]=NC=1C(=O)NC(NC=1NCCCO)=O)C
SMILESCACTVS3.385CC(=O)C=NC1=C(NCCCO)NC(=O)NC1=O
SMILESOpenEye OEToolkits2.0.7CC(=O)C=NC1=C(NC(=O)NC1=O)NCCCO
Canonical SMILESCACTVS3.385 CC(=O)C=NC1=C(NCCCO)NC(=O)NC1=O
Canonical SMILESOpenEye OEToolkits2.0.7 CC(=O)/C=N/C1=C(NC(=O)NC1=O)NCCCO
InChIInChI1.03 InChI=1S/C10H14N4O4/c1-6(16)5-12-7-8(11-3-2-4-15)13-10(18)14-9(7)17/h5,15H,2-4H2,1H3,(H3,11,13,14,17,18)/b12-5+
InChIKeyInChI1.03 RCQDRIITDZKOID-LFYBBSHMSA-N