8-[4-[2-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]-1,3-dimethyl-7H-purine-2,6-dione

Systemtic Name: 8-[4-[2-(hydroxymethyl)piperidin-1-yl]carbonylphenyl]-1,3-dimethyl-7H-purine-2,6-dione Openeye Name: 8-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-dimethyl-7H-purine-2,6-dione CAS Name: 8-[4-[[2-(hydroxymethyl)-1-piperidinyl]-oxomethyl]phenyl]-1,3-dimethyl-7H-purine-2,6-dione IUPAC Name: 8-[4-[2-(hydroxymethyl)piperidine-1-carbonyl]phenyl]-1,3-dimethyl-7H-purine-2,6-dione Traditional Name: 1,3-dimethyl-8-[4-(2-methylolpiperidine-1-carbonyl)phenyl]-7H-purine-2,6-quinone Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=O)N4CCCCC4CO

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)C(=O)N4CCCCC4CO

InChI

InChI=1S/C20H23N5O4/c1-23-17-15(19(28)24(2)20(23)29)21-16(22-17)12-6-8-13(9-7-12)18(27)25-10-4-3-5-14(25)11-26/h6-9,14,26H,3-5,10-11H2,1-2H3,(H,21,22)