3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-oxidanyl-phenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-oxidanyl-phenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxy-phenyl)-1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxyphenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxyphenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-hydroxy-phenyl)-1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C30H44ClFN6O3 MolecularWeight: 591.160163

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)O)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN(C(C)C)C(C)C)Cl

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)O)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN(C(C)C)C(C)C)Cl

InChI

InChI=1S/C30H44ClFN6O3/c1-6-41-24-16-23(39)26(32)27(25(24)31)37-18-21-17-34-29(33-14-10-7-11-15-36(19(2)3)20(4)5)35-28(21)38(30(37)40)22-12-8-9-13-22/h16-17,19-20,22,39H,6-15,18H2,1-5H3,(H,33,34,35)