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

Systemtic Name: methyl 4-[1-butyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzoate Openeye Name: methyl 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoate CAS Name: 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(1-butyl-2,6-dioxo-3,7-dihydropurin-8-yl)benzoate Traditional Name: 4-(1-butyl-2,6-diketo-3,7-dihydropurin-8-yl)benzoic acid methyl ester Formula: C17H18N4O4 MolecularWeight: 342.34922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C17H18N4O4/c1-3-4-9-21-15(22)12-14(20-17(21)24)19-13(18-12)10-5-7-11(8-6-10)16(23)25-2/h5-8H,3-4,9H2,1-2H3,(H,18,19)(H,20,24)