N-[3-[8-[2,6-bis(fluoranyl)phenyl]-2-ethoxy-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide

Systemtic Name: N-[3-[8-[2,6-bis(fluoranyl)phenyl]-2-ethoxy-7-oxidanylidene-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Openeye Name: N-[3-[8-(2,6-difluorophenyl)-2-ethoxy-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide CAS Name: N-[3-[8-(2,6-difluorophenyl)-2-ethoxy-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]-3-thiophenecarboxamide IUPAC Name: N-[3-[8-(2,6-difluorophenyl)-2-ethoxy-7-oxo-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methylphenyl]thiophene-3-carboxamide Traditional Name: N-[3-[8-(2,6-difluorophenyl)-2-ethoxy-7-keto-5,6-dihydropyrimido[4,5-d]pyrimidin-4-yl]-4-methyl-phenyl]thiophene-3-carboxamide Formula: C26H21F2N5O3S MolecularWeight: 521.538446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=C2CNC(=O)N(C2=N1)C3=C(C=CC=C3F)F)C4=C(C=CC(=C4)NC(=O)C5=CSC=C5)C

Isomeric SMILES

CCOC1=NC(=C2CNC(=O)N(C2=N1)C3=C(C=CC=C3F)F)C4=C(C=CC(=C4)NC(=O)C5=CSC=C5)C

InChI

InChI=1S/C26H21F2N5O3S/c1-3-36-25-31-21(17-11-16(8-7-14(17)2)30-24(34)15-9-10-37-13-15)18-12-29-26(35)33(23(18)32-25)22-19(27)5-4-6-20(22)28/h4-11,13H,3,12H2,1-2H3,(H,29,35)(H,30,34)