N2-(1,3-benzothiazol-6-yl)-5-bromanyl-N4-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-6-yl)-5-bromanyl-N4-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-6-yl)-5-bromo-N4-[2-(2-pyridyl)ethyl]pyrimidine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-6-yl)-5-bromo-N4-[2-(2-pyridinyl)ethyl]pyrimidine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-6-yl)-5-bromo-4-N-(2-pyridin-2-ylethyl)pyrimidine-2,4-diamine Traditional Name: 1,3-benzothiazol-6-yl-[5-bromo-4-[2-(2-pyridyl)ethylamino]pyrimidin-2-yl]amine Formula: C18H15BrN6S MolecularWeight: 427.3209

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CCNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CC=NC(=C1)CCNC2=NC(=NC=C2Br)NC3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H15BrN6S/c19-14-10-22-18(24-13-4-5-15-16(9-13)26-11-23-15)25-17(14)21-8-6-12-3-1-2-7-20-12/h1-5,7,9-11H,6,8H2,(H2,21,22,24,25)