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JMQ

Summary
Name:7-(((2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl)methyl)-3H-pyrrolo[3,2-d]pyrimidin-4(5H)-one
Formula:C12 H16 N4 O4
Formal charge:0
Formula weight:280.28 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.017-{[(2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one
OpenEye OEToolkits1.7.07-[[(1S,2R,3R,4S)-3,4-dihydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2NC=Nc1c(cnc12)CN3C(C(O)C(O)C3)CO
SMILES_CANONICALCACTVS3.370OC[C@@H]1[C@@H](O)[C@@H](O)CN1Cc2c[nH]c3C(=O)NC=Nc23
SMILESCACTVS3.370OC[CH]1[CH](O)[CH](O)CN1Cc2c[nH]c3C(=O)NC=Nc23
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(c2c([nH]1)C(=O)NC=N2)C[N@]3C[C@@H]([C@@H]([C@H]3CO)O)O
SMILESOpenEye OEToolkits1.7.0c1c(c2c([nH]1)C(=O)NC=N2)CN3CC(C(C3CO)O)O
InChIInChI1.03InChI=1S/C12H16N4O4/c17-4-7-11(19)8(18)3-16(7)2-6-1-13-10-9(6)14-5-15-12(10)20/h1,5,7-8,11,13,17-19H,2-4H2,(H,14,15,20)/t7-,8+,11-/m1/s1
InChIKeyInChI1.03OKGGSJRJIFFOGK-VHSKPIJISA-N

217705

PDB entries from 2024-03-27

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