4-(1-benzothiophen-2-yl)-5-methyl-N-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine

Systemtic Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine Openeye Name: 4-(benzothiophen-2-yl)-5-methyl-N-(6-piperazin-1-yl-3-pyridyl)pyrimidin-2-amine CAS Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-[6-(1-piperazinyl)-3-pyridinyl]-2-pyrimidinamine IUPAC Name: 4-(1-benzothiophen-2-yl)-5-methyl-N-(6-piperazin-1-ylpyridin-3-yl)pyrimidin-2-amine Traditional Name: [4-(benzothiophen-2-yl)-5-methyl-pyrimidin-2-yl]-(6-piperazino-3-pyridyl)amine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6S/c1-15-13-25-22(27-21(15)19-12-16-4-2-3-5-18(16)29-19)26-17-6-7-20(24-14-17)28-10-8-23-9-11-28/h2-7,12-14,23H,8-11H2,1H3,(H,25,26,27)