N8-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-N2-piperidin-4-yl-pyrimido[5,4-d]pyrimidine-2,8-diamine

Systemtic Name: N8-(3-chloranyl-4-fluoranyl-phenyl)-4-methyl-N2-piperidin-4-yl-pyrimido[5,4-d]pyrimidine-2,8-diamine Openeye Name: N8-(3-chloro-4-fluoro-phenyl)-4-methyl-N2-(4-piperidyl)pyrimido[5,4-d]pyrimidine-2,8-diamine CAS Name: N8-(3-chloro-4-fluorophenyl)-4-methyl-N2-(4-piperidinyl)pyrimido[5,4-d]pyrimidine-2,8-diamine IUPAC Name: 8-N-(3-chloro-4-fluorophenyl)-4-methyl-2-N-piperidin-4-ylpyrimido[5,4-d]pyrimidine-2,8-diamine Traditional Name: [8-(3-chloro-4-fluoro-anilino)-4-methyl-pyrimido[5,4-d]pyrimidin-2-yl]-(4-piperidyl)amine Formula: C18H19ClFN7 MolecularWeight: 387.841763

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC4CCNCC4

Isomeric SMILES

CC1=NC(=NC2=C1N=CN=C2NC3=CC(=C(C=C3)F)Cl)NC4CCNCC4

InChI

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