9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-oxidanylidenepropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 9-(2-methoxy-5-methyl-phenyl)-1-methyl-3-(2-oxidanylidenepropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-acetonyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(2-methoxy-5-methylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-acetonyl-9-(2-methoxy-5-methyl-phenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

InChI

InChI=1S/C20H23N5O4/c1-12-6-7-15(29-4)14(10-12)23-8-5-9-24-16-17(21-19(23)24)22(3)20(28)25(18(16)27)11-13(2)26/h6-7,10H,5,8-9,11H2,1-4H3