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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1NC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCN1C2=C(N=C1NC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H23N5O2/c1-4-5-6-11-23-14-15(22(3)18(25)21-16(14)24)20-17(23)19-13-9-7-12(2)8-10-13/h7-10H,4-6,11H2,1-3H3,(H,19,20)(H,21,24,25)