N2-(1,3-benzothiazol-5-yl)-5-bromanyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: N2-(1,3-benzothiazol-5-yl)-5-bromanyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: N2-(1,3-benzothiazol-5-yl)-5-bromo-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: N2-(1,3-benzothiazol-5-yl)-5-bromo-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 2-N-(1,3-benzothiazol-5-yl)-5-bromo-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: 1,3-benzothiazol-5-yl-[5-bromo-4-(propargylamino)pyrimidin-2-yl]amine Formula: C14H10BrN5S MolecularWeight: 360.2317

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1Br)NC2=CC3=C(C=C2)SC=N3

Isomeric SMILES

C#CCNC1=NC(=NC=C1Br)NC2=CC3=C(C=C2)SC=N3

InChI

InChI=1S/C14H10BrN5S/c1-2-5-16-13-10(15)7-17-14(20-13)19-9-3-4-12-11(6-9)18-8-21-12/h1,3-4,6-8H,5H2,(H2,16,17,19,20)