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

Systemtic Name: 9-(4-ethylphenyl)-1-methyl-3-(2-oxidanylidenepropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-acetonyl-9-(4-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 9-(4-ethylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 9-(4-ethylphenyl)-1-methyl-3-(2-oxopropyl)-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-acetonyl-9-(4-ethylphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)N2CCCN3C2=NC4=C3C(=O)N(C(=O)N4C)CC(=O)C

InChI

InChI=1S/C20H23N5O3/c1-4-14-6-8-15(9-7-14)23-10-5-11-24-16-17(21-19(23)24)22(3)20(28)25(18(16)27)12-13(2)26/h6-9H,4-5,10-12H2,1-3H3