3-(2-chloranyl-3-ethoxy-6-fluoranyl-5-oxidanyl-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-oxidanyl-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-hydroxy-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-hydroxyphenyl)-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-hydroxyphenyl)-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-hydroxy-phenyl)-1-cyclopropyl-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C27H37ClFN7O3 MolecularWeight: 562.079183

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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)C4CC4)NCCCCCN5CCN(CC5)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C27H37ClFN7O3/c1-3-39-21-15-20(37)23(29)24(22(21)28)35-17-18-16-31-26(32-25(18)36(27(35)38)19-7-8-19)30-9-5-4-6-10-34-13-11-33(2)12-14-34/h15-16,19,37H,3-14,17H2,1-2H3,(H,30,31,32)