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

Systemtic Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione CAS Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 3-methyl-8-[(4-methylphenyl)methylamino]-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC=C)C(=O)NC(=O)N3C

InChI

InChI=1S/C17H19N5O2/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/h4-8H,1,9-10H2,2-3H3,(H,18,19)(H,20,23,24)