4-[4-(3-chlorophenyl)azepan-1-yl]-6-methyl-pyrimidin-2-amine

Systemtic Name: 4-[4-(3-chlorophenyl)azepan-1-yl]-6-methyl-pyrimidin-2-amine Openeye Name: 4-[4-(3-chlorophenyl)azepan-1-yl]-6-methyl-pyrimidin-2-amine CAS Name: 4-[4-(3-chlorophenyl)-1-azepanyl]-6-methyl-2-pyrimidinamine IUPAC Name: 4-[4-(3-chlorophenyl)azepan-1-yl]-6-methylpyrimidin-2-amine Traditional Name: [4-[4-(3-chlorophenyl)azepan-1-yl]-6-methyl-pyrimidin-2-yl]amine Formula: C17H21ClN4 MolecularWeight: 316.82844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)N2CCCC(CC2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=N1)N)N2CCCC(CC2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C17H21ClN4/c1-12-10-16(21-17(19)20-12)22-8-3-5-13(7-9-22)14-4-2-6-15(18)11-14/h2,4,6,10-11,13H,3,5,7-9H2,1H3,(H2,19,20,21)