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

Systemtic Name: 1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-3-(3-ethoxy-2-fluoranyl-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Openeye Name: 1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-3-(3-ethoxy-2-fluoro-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one CAS Name: 1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-3-(3-ethoxy-2-fluorophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one IUPAC Name: 1-cyclopentyl-7-[5-[di(propan-2-yl)amino]pentylamino]-3-(3-ethoxy-2-fluorophenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Traditional Name: 1-cyclopentyl-7-[5-(diisopropylamino)pentylamino]-3-(3-ethoxy-2-fluoro-phenyl)-4H-pyrimido[4,5-d]pyrimidin-2-one Formula: C30H45FN6O2 MolecularWeight: 540.715703

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN(C(C)C)C(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1F)N2CC3=CN=C(N=C3N(C2=O)C4CCCC4)NCCCCCN(C(C)C)C(C)C

InChI

InChI=1S/C30H45FN6O2/c1-6-39-26-16-12-15-25(27(26)31)36-20-23-19-33-29(32-17-10-7-11-18-35(21(2)3)22(4)5)34-28(23)37(30(36)38)24-13-8-9-14-24/h12,15-16,19,21-22,24H,6-11,13-14,17-18,20H2,1-5H3,(H,32,33,34)