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

Systemtic Name: 6-(azepan-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(azepan-1-yl)-N-(3-chloro-4-fluoro-phenyl)pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(1-azepanyl)-N-(3-chloro-4-fluorophenyl)-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-(azepan-1-yl)-N-(3-chloro-4-fluorophenyl)pyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(azepan-1-yl)pyrimido[5,4-d]pyrimidin-4-yl]-(3-chloro-4-fluoro-phenyl)amine Formula: C18H18ClFN6 MolecularWeight: 372.827123

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C18H18ClFN6/c19-13-9-12(5-6-14(13)20)24-17-16-15(22-11-23-17)10-21-18(25-16)26-7-3-1-2-4-8-26/h5-6,9-11H,1-4,7-8H2,(H,22,23,24)