1-methyl-3-(2-methylpropyl)-8-(2-propoxyphenyl)-7H-purine-2,6-dione

Systemtic Name: 1-methyl-3-(2-methylpropyl)-8-(2-propoxyphenyl)-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-methyl-8-(2-propoxyphenyl)-7H-purine-2,6-dione CAS Name: 1-methyl-3-(2-methylpropyl)-8-(2-propoxyphenyl)-7H-purine-2,6-dione IUPAC Name: 1-methyl-3-(2-methylpropyl)-8-(2-propoxyphenyl)-7H-purine-2,6-dione Traditional Name: 3-isobutyl-1-methyl-8-(2-propoxyphenyl)-7H-purine-2,6-quinone Formula: C19H24N4O3 MolecularWeight: 356.41886

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

Isomeric SMILES

CCCOC1=CC=CC=C1C2=NC3=C(N2)C(=O)N(C(=O)N3CC(C)C)C

InChI

InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)