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

Systemtic Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-propan-2-yl-purine-2,6-dione Openeye Name: 8-[benzyl(methyl)amino]-7-isopropyl-3-methyl-purine-2,6-dione CAS Name: 3-methyl-8-[methyl-(phenylmethyl)amino]-7-propan-2-ylpurine-2,6-dione IUPAC Name: 8-[benzyl(methyl)amino]-3-methyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 8-[benzyl(methyl)amino]-7-isopropyl-3-methyl-xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

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