3-methyl-7-(3-methylbutyl)-8-[(4-methylphenyl)amino]purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-methylbutyl)-8-[(4-methylphenyl)amino]purine-2,6-dione Openeye Name: 7-isopentyl-3-methyl-8-(4-methylanilino)purine-2,6-dione CAS Name: 3-methyl-8-(4-methylanilino)-7-(3-methylbutyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(4-methylanilino)-7-(3-methylbutyl)purine-2,6-dione Traditional Name: 7-isoamyl-3-methyl-8-(p-toluidino)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC3=C(N2CCC(C)C)C(=O)NC(=O)N3C

InChI

InChI=1S/C18H23N5O2/c1-11(2)9-10-23-14-15(22(4)18(25)21-16(14)24)20-17(23)19-13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3,(H,19,20)(H,21,24,25)