4-[5-[[3-(3-azanylpropoxy)phenyl]methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine

Systemtic Name: 4-[5-[[3-(3-azanylpropoxy)phenyl]methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Openeye Name: 4-[5-[[3-(3-aminopropoxy)phenyl]methyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-amine CAS Name: 4-[5-[[3-(3-aminopropoxy)phenyl]methyl]-3-methyl-1-benzothiophen-2-yl]-2-pyrimidinamine IUPAC Name: 4-[5-[[3-(3-aminopropoxy)phenyl]methyl]-3-methyl-1-benzothiophen-2-yl]pyrimidin-2-amine Traditional Name: [4-[5-[3-(3-aminopropoxy)benzyl]-3-methyl-benzothiophen-2-yl]pyrimidin-2-yl]amine Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)OCCCN)C4=NC(=NC=C4)N

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)CC3=CC(=CC=C3)OCCCN)C4=NC(=NC=C4)N

InChI

InChI=1S/C23H24N4OS/c1-15-19-14-17(12-16-4-2-5-18(13-16)28-11-3-9-24)6-7-21(19)29-22(15)20-8-10-26-23(25)27-20/h2,4-8,10,13-14H,3,9,11-12,24H2,1H3,(H2,25,26,27)