ethyl 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzoate

Systemtic Name: ethyl 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzoate Openeye Name: ethyl 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoate CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzoate Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)benzoic acid ethyl ester Formula: C20H24N4O4 MolecularWeight: 384.42896

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C20H24N4O4/c1-4-11-23-17-15(18(25)24(12-5-2)20(23)27)21-16(22-17)13-7-9-14(10-8-13)19(26)28-6-3/h7-10H,4-6,11-12H2,1-3H3,(H,21,22)