ethyl 4-(6-aminopurin-9-yl)cyclohexene-1-carboxylate

Systemtic Name: ethyl 4-(6-aminopurin-9-yl)cyclohexene-1-carboxylate Openeye Name: ethyl 4-(6-aminopurin-9-yl)cyclohexene-1-carboxylate CAS Name: 4-(6-aminopurin-9-yl)-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-aminopurin-9-yl)cyclohexene-1-carboxylate Traditional Name: 4-adenin-9-ylcyclohexene-1-carboxylic acid ethyl ester Formula: C14H17N5O2 MolecularWeight: 287.31708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2N=CN=C3N

Isomeric SMILES

CCOC(=O)C1=CCC(CC1)N2C=NC3=C2N=CN=C3N

InChI

InChI=1S/C14H17N5O2/c1-2-21-14(20)9-3-5-10(6-4-9)19-8-18-11-12(15)16-7-17-13(11)19/h3,7-8,10H,2,4-6H2,1H3,(H2,15,16,17)