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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(1,3-benzothiazol-2-yl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-(1,3-benzothiazol-2-ylamino)pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C17H15N7S MolecularWeight: 349.4129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C17H15N7S/c18-14-15(20-9-11-4-3-7-19-8-11)21-10-22-16(14)24-17-23-12-5-1-2-6-13(12)25-17/h1-8,10H,9,18H2,(H2,20,21,22,23,24)