6-(azepan-1-yl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine

Systemtic Name: 6-(azepan-1-yl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine Openeye Name: 6-(azepan-1-yl)-N4-benzyl-N4-methyl-pyrimidine-4,5-diamine CAS Name: 6-(1-azepanyl)-N4-methyl-N4-(phenylmethyl)pyrimidine-4,5-diamine IUPAC Name: 6-(azepan-1-yl)-4-N-benzyl-4-N-methylpyrimidine-4,5-diamine Traditional Name: [5-amino-6-(azepan-1-yl)pyrimidin-4-yl]-benzyl-methyl-amine Formula: C18H25N5 MolecularWeight: 311.4246

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCCCCC3

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2N)N3CCCCCC3

InChI

InChI=1S/C18H25N5/c1-22(13-15-9-5-4-6-10-15)17-16(19)18(21-14-20-17)23-11-7-2-3-8-12-23/h4-6,9-10,14H,2-3,7-8,11-13,19H2,1H3