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

Systemtic Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Openeye Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(3-pyridylmethyl)pyrimidine-4,5,6-triamine CAS Name: N4-(4-methyl-1,3-benzothiazol-2-yl)-N6-(3-pyridinylmethyl)pyrimidine-4,5,6-triamine IUPAC Name: 4-N-(4-methyl-1,3-benzothiazol-2-yl)-6-N-(pyridin-3-ylmethyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(4-methyl-1,3-benzothiazol-2-yl)amino]pyrimidin-4-yl]-(3-pyridylmethyl)amine Formula: C18H17N7S MolecularWeight: 363.43948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)NCC4=CN=CC=C4)N

InChI

InChI=1S/C18H17N7S/c1-11-4-2-6-13-15(11)24-18(26-13)25-17-14(19)16(22-10-23-17)21-9-12-5-3-7-20-8-12/h2-8,10H,9,19H2,1H3,(H2,21,22,23,24,25)