4-chloranyl-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-(4-p-anisyl-1,4-diazepan-1-yl)pyrimidin-2-yl]amine Formula: C17H22ClN5O MolecularWeight: 347.84248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=CC(=NC(=N3)N)Cl

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCCN(CC2)C3=CC(=NC(=N3)N)Cl

InChI

InChI=1S/C17H22ClN5O/c1-24-14-5-3-13(4-6-14)12-22-7-2-8-23(10-9-22)16-11-15(18)20-17(19)21-16/h3-6,11H,2,7-10,12H2,1H3,(H2,19,20,21)