3-methyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-8-[benzyl(methyl)amino]-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-prop-2-enylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-8-[benzyl(methyl)amino]-3-methyl-xanthine Formula: C17H19N5O2 MolecularWeight: 325.36506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)CC3=CC=CC=C3)CC=C

InChI

InChI=1S/C17H19N5O2/c1-4-10-22-13-14(21(3)17(24)19-15(13)23)18-16(22)20(2)11-12-8-6-5-7-9-12/h4-9H,1,10-11H2,2-3H3,(H,19,23,24)