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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-N6-(3-nitrophenyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[5-nitro-6-(3-nitroanilino)pyrimidin-4-yl]amine Formula: C17H11N7O4S MolecularWeight: 409.37874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H11N7O4S/c25-23(26)11-5-3-4-10(8-11)20-15-14(24(27)28)16(19-9-18-15)22-17-21-12-6-1-2-7-13(12)29-17/h1-9H,(H2,18,19,20,21,22)