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

Systemtic Name: 6-(3-azanylpiperidin-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(3-amino-1-piperidyl)-N-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(3-amino-1-piperidinyl)-N-(3-chloro-4-fluorophenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-(3-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(3-aminopiperidino)pyrimido[5,4-d]pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C17H17ClFN7 MolecularWeight: 373.815183

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)N

Isomeric SMILES

C1CC(CN(C1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)N

InChI

InChI=1S/C17H17ClFN7/c18-12-6-11(3-4-13(12)19)24-16-15-14(22-9-23-16)7-21-17(25-15)26-5-1-2-10(20)8-26/h3-4,6-7,9-10H,1-2,5,8,20H2,(H,22,23,24)