3-[2,6-bis(chloranyl)phenyl]-7-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-(1-methylpyrazol-3-yl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 3-[2,6-bis(chloranyl)phenyl]-7-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-1-(1-methylpyrazol-3-yl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 3-(2,6-dichlorophenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-(1-methylpyrazol-3-yl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 3-(2,6-dichlorophenyl)-7-[3-methyl-4-(4-methyl-1-piperazinyl)anilino]-1-(1-methyl-3-pyrazolyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 3-(2,6-dichlorophenyl)-7-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]-1-(1-methylpyrazol-3-yl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 3-(2,6-dichlorophenyl)-7-[3-methyl-4-(4-methylpiperazino)anilino]-1-(1-methylpyrazol-3-yl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C28H27Cl2N9O2 MolecularWeight: 592.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl)C5=NN(C=C5)C)N6CCN(CC6)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=C3C(=N2)N(C(=O)N(C3=O)C4=C(C=CC=C4Cl)Cl)C5=NN(C=C5)C)N6CCN(CC6)C

InChI

InChI=1S/C28H27Cl2N9O2/c1-17-15-18(7-8-22(17)37-13-11-35(2)12-14-37)32-27-31-16-19-25(33-27)38(23-9-10-36(3)34-23)28(41)39(26(19)40)24-20(29)5-4-6-21(24)30/h4-10,15-16H,11-14H2,1-3H3,(H,31,32,33)