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

Systemtic Name: 4-(azepan-1-yl)-N-[1-(3-methyl-1-benzothiophen-2-yl)piperidin-4-yl]pyrimidin-2-amine Openeye Name: 4-(azepan-1-yl)-N-[1-(3-methylbenzothiophen-2-yl)-4-piperidyl]pyrimidin-2-amine CAS Name: 4-(1-azepanyl)-N-[1-(3-methyl-1-benzothiophen-2-yl)-4-piperidinyl]-2-pyrimidinamine IUPAC Name: 4-(azepan-1-yl)-N-[1-(3-methyl-1-benzothiophen-2-yl)piperidin-4-yl]pyrimidin-2-amine Traditional Name: [4-(azepan-1-yl)pyrimidin-2-yl]-[1-(3-methylbenzothiophen-2-yl)-4-piperidyl]amine Formula: C24H31N5S MolecularWeight: 421.60144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)N3CCC(CC3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)N3CCC(CC3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

InChI=1S/C24H31N5S/c1-18-20-8-4-5-9-21(20)30-23(18)29-16-11-19(12-17-29)26-24-25-13-10-22(27-24)28-14-6-2-3-7-15-28/h4-5,8-10,13,19H,2-3,6-7,11-12,14-17H2,1H3,(H,25,26,27)