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

Systemtic Name: 6-(4-azanylazepan-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(4-aminoazepan-1-yl)-N-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(4-amino-1-azepanyl)-N-(3-chloro-4-fluorophenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-(4-aminoazepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(4-aminoazepan-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C18H19ClFN7 MolecularWeight: 387.841763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClFN7/c19-13-8-12(3-4-14(13)20)25-17-16-15(23-10-24-17)9-22-18(26-16)27-6-1-2-11(21)5-7-27/h3-4,8-11H,1-2,5-7,21H2,(H,23,24,25)