2-azanyl-9-[4-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl]-8-(phenylcarbonyl)-3H-purin-6-one

Systemtic Name: 2-azanyl-9-[4-(hydroxymethyl)-5-oxidanyl-cyclohex-2-en-1-yl]-8-(phenylcarbonyl)-3H-purin-6-one Openeye Name: 2-amino-8-benzoyl-9-[5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one CAS Name: 2-amino-8-benzoyl-9-[5-hydroxy-4-(hydroxymethyl)-1-cyclohex-2-enyl]-3H-purin-6-one IUPAC Name: 2-amino-8-benzoyl-9-[5-hydroxy-4-(hydroxymethyl)cyclohex-2-en-1-yl]-3H-purin-6-one Traditional Name: 2-amino-8-benzoyl-9-(5-hydroxy-4-methylol-cyclohex-2-en-1-yl)-3H-purin-6-one Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C=CC(C1O)CO)N2C3=C(C(=O)N=C(N3)N)N=C2C(=O)C4=CC=CC=C4

Isomeric SMILES

C1C(C=CC(C1O)CO)N2C3=C(C(=O)N=C(N3)N)N=C2C(=O)C4=CC=CC=C4

InChI

InChI=1S/C19H19N5O4/c20-19-22-16-14(18(28)23-19)21-17(15(27)10-4-2-1-3-5-10)24(16)12-7-6-11(9-25)13(26)8-12/h1-7,11-13,25-26H,8-9H2,(H3,20,22,23,28)