3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-methoxy-phenyl)-1-cyclopropyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one

Systemtic Name: 3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-methoxy-phenyl)-1-cyclopropyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxy-phenyl)-1-cyclopropyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxyphenyl)-1-cyclopropyl-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxyphenyl)-1-cyclopropyl-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 3-(2-chloro-3-ethoxy-6-fluoro-5-methoxy-phenyl)-1-cyclopropyl-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C28H39ClFN7O3 MolecularWeight: 576.105763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NCCCCCN5CCN(CC5)C)Cl

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CC4)NCCCCCN5CCN(CC5)C)Cl

InChI

InChI=1S/C28H39ClFN7O3/c1-4-40-21-16-22(39-3)24(30)25(23(21)29)36-18-19-17-32-27(33-26(19)37(28(36)38)20-8-9-20)31-10-6-5-7-11-35-14-12-34(2)13-15-35/h16-17,20H,4-15,18H2,1-3H3,(H,31,32,33)