N-(1-benzothiophen-5-ylmethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine

Systemtic Name: N-(1-benzothiophen-5-ylmethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine Openeye Name: N-(benzothiophen-5-ylmethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine CAS Name: N-(1-benzothiophen-5-ylmethyl)-4-(2-methyl-1,2,4-triazol-3-yl)-2-pyrimidinamine IUPAC Name: N-(1-benzothiophen-5-ylmethyl)-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine Traditional Name: benzothiophen-5-ylmethyl-[4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-yl]amine Formula: C16H14N6S MolecularWeight: 322.38756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC=N1)C2=NC(=NC=C2)NCC3=CC4=C(C=C3)SC=C4

Isomeric SMILES

CN1C(=NC=N1)C2=NC(=NC=C2)NCC3=CC4=C(C=C3)SC=C4

InChI

InChI=1S/C16H14N6S/c1-22-15(19-10-20-22)13-4-6-17-16(21-13)18-9-11-2-3-14-12(8-11)5-7-23-14/h2-8,10H,9H2,1H3,(H,17,18,21)