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

Systemtic Name: N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: N4-methyl-N6-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-6-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: methyl-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)N(C)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H16N6O2S/c1-12-8-9-14-15(10-12)28-19(22-14)23-17-16(25(26)27)18(21-11-20-17)24(2)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,21,22,23)