4-(1-benzothiophen-2-yl)-5-methyl-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine

Systemtic Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine Openeye Name: 4-(benzothiophen-2-yl)-5-methyl-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine CAS Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-[3-(1-piperazinyl)phenyl]-2-pyrimidinamine IUPAC Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-(3-piperazin-1-ylphenyl)pyrimidin-2-amine Traditional Name: [4-(benzothiophen-2-yl)-5-methyl-pyrimidin-2-yl]-(3-piperazinophenyl)amine Formula: C23H23N5S MolecularWeight: 401.52722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NC4=CC=CC(=C4)N5CCNCC5

Isomeric SMILES

CC1=CN=C(N=C1C2=CC3=CC=CC=C3S2)NC4=CC=CC(=C4)N5CCNCC5

InChI

InChI=1S/C23H23N5S/c1-16-15-25-23(27-22(16)21-13-17-5-2-3-8-20(17)29-21)26-18-6-4-7-19(14-18)28-11-9-24-10-12-28/h2-8,13-15,24H,9-12H2,1H3,(H,25,26,27)