N-[4-(azepan-1-yl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: N-[4-(azepan-1-yl)phenyl]-7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: N-[4-(1-azepanyl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: N-[4-(azepan-1-yl)phenyl]-7-methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [4-(azepan-1-yl)phenyl]-(7-methyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl)amine Formula: C23H28N4S MolecularWeight: 392.56022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC=C(C=C4)N5CCCCCC5

Isomeric SMILES

CC1CCC2=C(C1)SC3=NC=NC(=C23)NC4=CC=C(C=C4)N5CCCCCC5

InChI

InChI=1S/C23H28N4S/c1-16-6-11-19-20(14-16)28-23-21(19)22(24-15-25-23)26-17-7-9-18(10-8-17)27-12-4-2-3-5-13-27/h7-10,15-16H,2-6,11-14H2,1H3,(H,24,25,26)