1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoranyl-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoranyl-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-7-[[4-(dimethylamino)cyclohexyl]amino]-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C24H31FN6O2 MolecularWeight: 454.540343

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1CCC(CC1)NC2=NC=C3CN(C(=O)N(C3=N2)C4CC4)C5=C(C(=CC=C5)OC)F

Isomeric SMILES

CN(C)C1CCC(CC1)NC2=NC=C3CN(C(=O)N(C3=N2)C4CC4)C5=C(C(=CC=C5)OC)F

InChI

InChI=1S/C24H31FN6O2/c1-29(2)17-9-7-16(8-10-17)27-23-26-13-15-14-30(19-5-4-6-20(33-3)21(19)25)24(32)31(18-11-12-18)22(15)28-23/h4-6,13,16-18H,7-12,14H2,1-3H3,(H,26,27,28)