4-(1,4-diazepan-1-yl)-6-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidin-2-amine

Systemtic Name: 4-(1,4-diazepan-1-yl)-6-methyl-N-[1-(phenylmethyl)piperidin-4-yl]pyrimidin-2-amine Openeye Name: N-(1-benzyl-4-piperidyl)-4-(1,4-diazepan-1-yl)-6-methyl-pyrimidin-2-amine CAS Name: 4-(1,4-diazepan-1-yl)-6-methyl-N-[1-(phenylmethyl)-4-piperidinyl]-2-pyrimidinamine IUPAC Name: N-(1-benzylpiperidin-4-yl)-4-(1,4-diazepan-1-yl)-6-methylpyrimidin-2-amine Traditional Name: (1-benzyl-4-piperidyl)-[4-(1,4-diazepan-1-yl)-6-methyl-pyrimidin-2-yl]amine Formula: C22H32N6 MolecularWeight: 380.52968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2CCN(CC2)CC3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2CCN(CC2)CC3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C22H32N6/c1-18-16-21(28-12-5-10-23-11-15-28)26-22(24-18)25-20-8-13-27(14-9-20)17-19-6-3-2-4-7-19/h2-4,6-7,16,20,23H,5,8-15,17H2,1H3,(H,24,25,26)