4-(azepan-1-yl)-N-[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-3-yl]pyrimidin-2-amine

Systemtic Name: 4-(azepan-1-yl)-N-[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-3-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-[(3-methylbenzothiophen-2-yl)methyl]-3-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-[(3-methyl-1-benzothiophen-2-yl)methyl]-3-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-[(3-methyl-1-benzothiophen-2-yl)methyl]piperidin-3-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-[(3-methylbenzothiophen-2-yl)methyl]-3-piperidyl]amine Formula: C25H33N5S MolecularWeight: 435.62802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C25H33N5S/c1-19-21-10-4-5-11-22(21)31-23(19)18-29-14-8-9-20(17-29)27-25-26-13-12-24(28-25)30-15-6-2-3-7-16-30/h4-5,10-13,20H,2-3,6-9,14-18H2,1H3,(H,26,27,28)