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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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