9-(3-methoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(3-methoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-isobutyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(3-methoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1-methyl-3-(2-methylpropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-isobutyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

InChI

InChI=1S/C20H25N5O3/c1-13(2)12-25-18(26)16-17(22(3)20(25)27)21-19-23(9-6-10-24(16)19)14-7-5-8-15(11-14)28-4/h5,7-8,11,13H,6,9-10,12H2,1-4H3