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

Systemtic Name: 1-cyclopentyl-3-[3-ethoxy-2,6-bis(fluoranyl)-5-methoxy-phenyl]-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-7-[5-(4-methyl-1-piperazinyl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxyphenyl)-7-[5-(4-methylpiperazin-1-yl)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-3-(3-ethoxy-2,6-difluoro-5-methoxy-phenyl)-7-[5-(4-methylpiperazino)pentylamino]-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C30H43F2N7O3 MolecularWeight: 587.704326

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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)C4CCCC4)NCCCCCN5CCN(CC5)C)F

Isomeric SMILES

CCOC1=C(C(=C(C(=C1)OC)F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN5CCN(CC5)C)F

InChI

InChI=1S/C30H43F2N7O3/c1-4-42-24-18-23(41-3)25(31)27(26(24)32)38-20-21-19-34-29(35-28(21)39(30(38)40)22-10-6-7-11-22)33-12-8-5-9-13-37-16-14-36(2)15-17-37/h18-19,22H,4-17,20H2,1-3H3,(H,33,34,35)