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

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-propyl-purine-2,6-dione Openeye Name: 3-methyl-7-propyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-propylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-propylpurine-2,6-dione Traditional Name: 3-methyl-8-[(4-methylbenzyl)amino]-7-propyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H21N5O2/c1-4-9-22-13-14(21(3)17(24)20-15(13)23)19-16(22)18-10-12-7-5-11(2)6-8-12/h5-8H,4,9-10H2,1-3H3,(H,18,19)(H,20,23,24)