1-methyl-8-[2-(methylamino)phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione

Systemtic Name: 1-methyl-8-[2-(methylamino)phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-[2-(methylamino)phenyl]-7H-purine-2,6-dione CAS Name: 1-methyl-8-[2-(methylamino)phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione IUPAC Name: 1-methyl-8-[2-(methylamino)phenyl]-3-(2-methylpropyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-[2-(methylamino)phenyl]-7H-purine-2,6-quinone Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3NC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=CC=C3NC

InChI

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