1-methyl-3-(2-methylpropyl)-8-phenyl-7-prop-2-ynyl-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7-prop-2-ynyl-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-phenyl-7-prop-2-ynyl-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7-prop-2-ynylpurine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-phenyl-7-prop-2-ynylpurine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-phenyl-7-propargyl-xanthine Formula: C19H20N4O2 MolecularWeight: 336.3877

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC=CC=C3)CC#C

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)C3=CC=CC=C3)CC#C

InChI

InChI=1S/C19H20N4O2/c1-5-11-22-15-17(20-16(22)14-9-7-6-8-10-14)23(12-13(2)3)19(25)21(4)18(15)24/h1,6-10,13H,11-12H2,2-4H3