1-cyclopropyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-methoxy-phenyl]-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopropyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-methoxy-phenyl]-7-[(4-oxidanylcyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-7-[(4-hydroxycyclohexyl)amino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H29F2N5O4 MolecularWeight: 489.514966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O)F

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NC5CCC(CC5)O)F

InChI

InChI=1S/C24H29F2N5O4/c1-3-35-18-10-17(34-2)19(25)21(20(18)26)30-12-13-11-27-23(28-14-4-8-16(32)9-5-14)29-22(13)31(24(30)33)15-6-7-15/h10-11,14-16,32H,3-9,12H2,1-2H3,(H,27,28,29)