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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CCN(C3CCCN3)C4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CCN(C3CCCN3)C4=NC=CC(=N4)N5CCCCCC5

InChI

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