[2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl ester IUPAC Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2CNC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)CN2CNC3=C2NC(=NC3=O)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H25N5O3/c21-20-23-17-16(18(26)24-20)22-12-25(17)10-14-8-4-5-9-15(14)11-28-19(27)13-6-2-1-3-7-13/h1-3,6-7,14-15,22H,4-5,8-12H2,(H3,21,23,24,26)