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

Systemtic Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoranyl-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-methoxyphenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-[4-(diethylamino)butylamino]-3-(2-fluoro-3-methoxy-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C26H37FN6O2 MolecularWeight: 484.609383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37FN6O2/c1-4-31(5-2)16-9-8-15-28-25-29-17-19-18-32(21-13-10-14-22(35-3)23(21)27)26(34)33(24(19)30-25)20-11-6-7-12-20/h10,13-14,17,20H,4-9,11-12,15-16,18H2,1-3H3,(H,28,29,30)