1,3-dimethyl-8-[(3-methylphenyl)amino]-7-propyl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[(3-methylphenyl)amino]-7-propyl-purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methylanilino)-7-propyl-purine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylanilino)-7-propylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylanilino)-7-propylpurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(m-toluidino)-7-propyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1NC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C17H21N5O2/c1-5-9-22-13-14(20(3)17(24)21(4)15(13)23)19-16(22)18-12-8-6-7-11(2)10-12/h6-8,10H,5,9H2,1-4H3,(H,18,19)