6-(2-chlorophenyl)-2-[[4-(4-ethanoylpiperazin-1-yl)-3-methyl-phenyl]amino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione

Systemtic Name: 6-(2-chlorophenyl)-2-[[4-(4-ethanoylpiperazin-1-yl)-3-methyl-phenyl]amino]-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Openeye Name: 2-[4-(4-acetylpiperazin-1-yl)-3-methyl-anilino]-6-(2-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione CAS Name: 2-[4-(4-acetyl-1-piperazinyl)-3-methylanilino]-6-(2-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione IUPAC Name: 2-[4-(4-acetylpiperazin-1-yl)-3-methylanilino]-6-(2-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-dione Traditional Name: 2-[4-(4-acetylpiperazino)-3-methyl-anilino]-6-(2-chlorophenyl)-8H-pyrimido[4,5-d]pyrimidine-5,7-quinone Formula: C25H24ClN7O3 MolecularWeight: 505.95616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=CC=C4Cl)N5CCN(CC5)C(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)NC(=O)N(C3=O)C4=CC=CC=C4Cl)N5CCN(CC5)C(=O)C

InChI

InChI=1S/C25H24ClN7O3/c1-15-13-17(7-8-20(15)32-11-9-31(10-12-32)16(2)34)28-24-27-14-18-22(29-24)30-25(36)33(23(18)35)21-6-4-3-5-19(21)26/h3-8,13-14H,9-12H2,1-2H3,(H2,27,28,29,30,36)