N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine

Systemtic Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)-N4-pyridin-2-yl-pyrimidine-4,6-diamine Openeye Name: N4-benzyl-N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(2-pyridyl)pyrimidine-4,6-diamine CAS Name: N6-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-(phenylmethyl)-N4-(2-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-benzyl-6-N-(4-methyl-1,3-benzothiazol-2-yl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine Traditional Name: benzyl-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-(2-pyridyl)amine Formula: C24H19N7O2S MolecularWeight: 469.51836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

Isomeric SMILES

CC1=C2C(=CC=C1)SC(=N2)NC3=C(C(=NC=N3)N(CC4=CC=CC=C4)C5=CC=CC=N5)[N+](=O)[O-]

InChI

InChI=1S/C24H19N7O2S/c1-16-8-7-11-18-20(16)28-24(34-18)29-22-21(31(32)33)23(27-15-26-22)30(19-12-5-6-13-25-19)14-17-9-3-2-4-10-17/h2-13,15H,14H2,1H3,(H,26,27,28,29)