1-(3-chloranyl-2-methyl-phenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 1-(3-chloro-2-methyl-phenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 1-(3-chloro-2-methylphenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 1-(3-chloro-2-methylphenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 1-(3-chloro-2-methyl-phenyl)-6-phenethyl-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H21ClN4O2 MolecularWeight: 396.87004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=O

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C3=C(CN(CN3)CCC4=CC=CC=C4)C(=O)NC2=O

InChI

InChI=1S/C21H21ClN4O2/c1-14-17(22)8-5-9-18(14)26-19-16(20(27)24-21(26)28)12-25(13-23-19)11-10-15-6-3-2-4-7-15/h2-9,23H,10-13H2,1H3,(H,24,27,28)