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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenyl-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-phenylpyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-phenylpyrimidine-4,6-diamine Traditional Name: (6-anilino-5-nitro-pyrimidin-4-yl)-(1,3-benzothiazol-2-yl)amine Formula: C17H12N6O2S MolecularWeight: 364.38118

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N6O2S/c24-23(25)14-15(20-11-6-2-1-3-7-11)18-10-19-16(14)22-17-21-12-8-4-5-9-13(12)26-17/h1-10H,(H2,18,19,20,21,22)