ethyl 1-[4-[[6-[2,6-bis(chloranyl)phenyl]-5,7-bis(oxidanylidene)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[4-[[6-[2,6-bis(chloranyl)phenyl]-5,7-bis(oxidanylidene)-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[4-[[6-(2,6-dichlorophenyl)-5,7-dioxo-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate CAS Name: 1-[4-[[6-(2,6-dichlorophenyl)-5,7-dioxo-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[[6-(2,6-dichlorophenyl)-5,7-dioxo-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]piperidine-4-carboxylate Traditional Name: 1-[4-[[6-(2,6-dichlorophenyl)-5,7-diketo-8H-pyrimido[4,5-d]pyrimidin-2-yl]amino]phenyl]isonipecotic acid ethyl ester Formula: C26H24Cl2N6O4 MolecularWeight: 555.41256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)NC(=O)N(C4=O)C5=C(C=CC=C5Cl)Cl

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C4C(=N3)NC(=O)N(C4=O)C5=C(C=CC=C5Cl)Cl

InChI

InChI=1S/C26H24Cl2N6O4/c1-2-38-24(36)15-10-12-33(13-11-15)17-8-6-16(7-9-17)30-25-29-14-18-22(31-25)32-26(37)34(23(18)35)21-19(27)4-3-5-20(21)28/h3-9,14-15H,2,10-13H2,1H3,(H2,29,30,31,32,37)