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

Systemtic Name: 1-cyclopropyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-oxidanyl-phenyl]-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxy-phenyl)-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxyphenyl)-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxyphenyl)-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopropyl-3-(3-ethoxy-2,6-difluoro-5-hydroxy-phenyl)-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C27H37F2N7O3 MolecularWeight: 545.624586

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C27H37F2N7O3/c1-3-39-21-15-20(37)22(28)24(23(21)29)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)