N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine

Systemtic Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(6-methoxy-1,3-benzothiazol-2-yl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(6-methoxy-1,3-benzothiazol-2-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(6-methoxy-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H17N7OS MolecularWeight: 379.43888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C18H17N7OS/c1-26-12-4-5-13-14(7-12)27-18(24-13)25-17-15(19)16(22-10-23-17)21-9-11-3-2-6-20-8-11/h2-8,10H,9,19H2,1H3,(H2,21,22,23,24,25)