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

Systemtic Name: 9-(3-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-isopentyl-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-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1-methyl-3-(3-methylbutyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-isoamyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

InChI

InChI=1S/C21H27N5O3/c1-14(2)9-12-26-19(27)17-18(23(3)21(26)28)22-20-24(10-6-11-25(17)20)15-7-5-8-16(13-15)29-4/h5,7-8,13-14H,6,9-12H2,1-4H3