1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoranyl-5-methoxy-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoranyl-5-methoxy-3-oxidanyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-hydroxy-5-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-hydroxy-5-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H37FN6O3 MolecularWeight: 500.608783

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=CC(=CC(=C4F)O)OC

Isomeric SMILES

CCN(CC)CCCCNC1=NC=C2CN(C(=O)N(C2=N1)C3CCCC3)C4=CC(=CC(=C4F)O)OC

InChI

InChI=1S/C26H37FN6O3/c1-4-31(5-2)13-9-8-12-28-25-29-16-18-17-32(21-14-20(36-3)15-22(34)23(21)27)26(35)33(24(18)30-25)19-10-6-7-11-19/h14-16,19,34H,4-13,17H2,1-3H3,(H,28,29,30)