N-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-6-(3-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: N-(3-chloro-4-fluoro-phenyl)-6-(3-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: N-(3-chloro-4-fluorophenyl)-6-(3-methyl-1-piperazinyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: N-(3-chloro-4-fluorophenyl)-6-(3-methylpiperazin-1-yl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: (3-chloro-4-fluoro-phenyl)-[6-(3-methylpiperazino)pyrimido[5,4-d]pyrimidin-4-yl]amine Formula: C17H17ClFN7 MolecularWeight: 373.815183

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CC1CN(CCN1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C17H17ClFN7/c1-10-8-26(5-4-20-10)17-21-7-14-15(25-17)16(23-9-22-14)24-11-2-3-13(19)12(18)6-11/h2-3,6-7,9-10,20H,4-5,8H2,1H3,(H,22,23,24)