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

Systemtic Name: 4-[4-(3-chlorophenyl)-4-methoxy-azepan-1-yl]-6-methyl-pyrimidin-2-amine Openeye Name: 4-[4-(3-chlorophenyl)-4-methoxy-azepan-1-yl]-6-methyl-pyrimidin-2-amine CAS Name: 4-[4-(3-chlorophenyl)-4-methoxy-1-azepanyl]-6-methyl-2-pyrimidinamine IUPAC Name: 4-[4-(3-chlorophenyl)-4-methoxyazepan-1-yl]-6-methylpyrimidin-2-amine Traditional Name: [4-[4-(3-chlorophenyl)-4-methoxy-azepan-1-yl]-6-methyl-pyrimidin-2-yl]amine Formula: C18H23ClN4O MolecularWeight: 346.85442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23ClN4O/c1-13-11-16(22-17(20)21-13)23-9-4-7-18(24-2,8-10-23)14-5-3-6-15(19)12-14/h3,5-6,11-12H,4,7-10H2,1-2H3,(H2,20,21,22)