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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)CN3CCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)CN3CCC(C3)NC4=NC=CC(=N4)N5CCCCCC5

InChI

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