methyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate

Systemtic Name: methyl 3-(8-azanyl-6-oxidanylidene-purin-2-yl)-4-propoxy-benzoate Openeye Name: methyl 3-(8-amino-6-oxo-purin-2-yl)-4-propoxy-benzoate CAS Name: 3-(8-amino-6-oxo-2-purinyl)-4-propoxybenzoic acid methyl ester IUPAC Name: methyl 3-(8-amino-6-oxopurin-2-yl)-4-propoxybenzoate Traditional Name: 3-(8-amino-6-keto-purin-2-yl)-4-propoxy-benzoic acid methyl ester Formula: C16H15N5O4 MolecularWeight: 341.3214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC)C2=NC(=O)C3=NC(=NC3=N2)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC)C2=NC(=O)C3=NC(=NC3=N2)N

InChI

InChI=1S/C16H15N5O4/c1-3-6-25-10-5-4-8(15(23)24-2)7-9(10)12-19-13-11(14(22)20-12)18-16(17)21-13/h4-5,7H,3,6H2,1-2H3,(H2,17,19,20,21,22)