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

Systemtic Name: 3-(6-chloranyl-3-ethoxy-2-fluoranyl-phenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(6-chloro-3-ethoxy-2-fluorophenyl)-1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(6-chloro-3-ethoxy-2-fluoro-phenyl)-1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C30H44ClFN6O2 MolecularWeight: 575.160763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44ClFN6O2/c1-6-40-25-15-14-24(31)27(26(25)32)37-19-22-18-34-29(33-16-10-7-11-17-36(20(2)3)21(4)5)35-28(22)38(30(37)39)23-12-8-9-13-23/h14-15,18,20-21,23H,6-13,16-17,19H2,1-5H3,(H,33,34,35)