8-(butylamino)-3-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-(butylamino)-3-methyl-7-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-(butylamino)-3-methyl-7-[2-oxo-2-(p-tolyl)ethyl]purine-2,6-dione CAS Name: 8-(butylamino)-3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione IUPAC Name: 8-(butylamino)-3-methyl-7-[2-(4-methylphenyl)-2-oxoethyl]purine-2,6-dione Traditional Name: 8-(butylamino)-7-[2-keto-2-(p-tolyl)ethyl]-3-methyl-xanthine Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)C)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC(=O)C3=CC=C(C=C3)C)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H23N5O3/c1-4-5-10-20-18-21-16-15(17(26)22-19(27)23(16)3)24(18)11-14(25)13-8-6-12(2)7-9-13/h6-9H,4-5,10-11H2,1-3H3,(H,20,21)(H,22,26,27)