ethyl 4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohexene-1-carboxylate

Systemtic Name: ethyl 4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)cyclohexene-1-carboxylate Openeye Name: ethyl 4-(2-amino-6-oxo-3H-purin-9-yl)cyclohexene-1-carboxylate CAS Name: 4-(2-amino-6-oxo-3H-purin-9-yl)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-amino-6-oxo-3H-purin-9-yl)cyclohexene-1-carboxylate Traditional Name: 4-(2-amino-6-keto-3H-purin-9-yl)cyclohexene-1-carboxylic acid ethyl ester Formula: C14H17N5O3 MolecularWeight: 303.31648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2NC(=NC3=O)N

InChI

InChI=1S/C14H17N5O3/c1-2-22-13(21)8-3-5-9(6-4-8)19-7-16-10-11(19)17-14(15)18-12(10)20/h3,7,9H,2,4-6H2,1H3,(H3,15,17,18,20)