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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C

InChI

InChI=1S/C17H21N5O2/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/h5-9H,4,10-11H2,1-3H3,(H,19,23,24)