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

Systemtic Name: [2-[(2-azanyl-6-oxidanylidene-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl propanoate Openeye Name: [2-[(2-amino-6-oxo-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [2-[(2-amino-6-keto-7,8-dihydro-3H-purin-9-yl)methyl]cyclohexyl]methyl ester Formula: C16H25N5O3 MolecularWeight: 335.4014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC1CCCCC1CN2CNC3=C2NC(=NC3=O)N

Isomeric SMILES

CCC(=O)OCC1CCCCC1CN2CNC3=C2NC(=NC3=O)N

InChI

InChI=1S/C16H25N5O3/c1-2-12(22)24-8-11-6-4-3-5-10(11)7-21-9-18-13-14(21)19-16(17)20-15(13)23/h10-11,18H,2-9H2,1H3,(H3,17,19,20,23)