N-[4-chloranyl-3-(1-methyl-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenyl-benzamide

Systemtic Name: N-[4-chloranyl-3-(1-methyl-7-methylsulfonyl-2-oxidanylidene-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenyl-benzamide Openeye Name: N-[4-chloro-3-(1-methyl-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenyl-benzamide CAS Name: N-[4-chloro-3-(1-methyl-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenylbenzamide IUPAC Name: N-[4-chloro-3-(1-methyl-7-methylsulfonyl-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenylbenzamide Traditional Name: N-[4-chloro-3-(2-keto-7-mesyl-1-methyl-4H-pyrimido[4,5-d]pyrimidin-3-yl)phenyl]-4-phenyl-benzamide Formula: C27H22ClN5O4S MolecularWeight: 548.01268

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)Cl)S(=O)(=O)C

Isomeric SMILES

CN1C2=NC(=NC=C2CN(C1=O)C3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)C5=CC=CC=C5)Cl)S(=O)(=O)C

InChI

InChI=1S/C27H22ClN5O4S/c1-32-24-20(15-29-26(31-24)38(2,36)37)16-33(27(32)35)23-14-21(12-13-22(23)28)30-25(34)19-10-8-18(9-11-19)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3,(H,30,34)