6-(4-azanylpiperidin-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-pyrimido[5,4-d]pyrimidin-4-amine

Systemtic Name: 6-(4-azanylpiperidin-1-yl)-N-(3-chloranyl-4-fluoranyl-phenyl)-2-methyl-pyrimido[5,4-d]pyrimidin-4-amine Openeye Name: 6-(4-amino-1-piperidyl)-N-(3-chloro-4-fluoro-phenyl)-2-methyl-pyrimido[5,4-d]pyrimidin-4-amine CAS Name: 6-(4-amino-1-piperidinyl)-N-(3-chloro-4-fluorophenyl)-2-methyl-4-pyrimido[5,4-d]pyrimidinamine IUPAC Name: 6-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpyrimido[5,4-d]pyrimidin-4-amine Traditional Name: [6-(4-aminopiperidino)-2-methyl-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:

CC1=NC2=CN=C(N=C2C(=N1)NC3=CC(=C(C=C3)F)Cl)N4CCC(CC4)N

Isomeric SMILES

CC1=NC2=CN=C(N=C2C(=N1)NC3=CC(=C(C=C3)F)Cl)N4CCC(CC4)N

InChI

InChI=1S/C18H19ClFN7/c1-10-23-15-9-22-18(27-6-4-11(21)5-7-27)26-16(15)17(24-10)25-12-2-3-14(20)13(19)8-12/h2-3,8-9,11H,4-7,21H2,1H3,(H,23,24,25)