N2,N4-bis(2,1,3-benzothiadiazol-4-yl)-6-methyl-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2,N4-bis(2,1,3-benzothiadiazol-4-yl)-6-methyl-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2,N4-bis(2,1,3-benzothiadiazol-4-yl)-6-methyl-5-nitro-pyrimidine-2,4-diamine CAS Name: N2,N4-bis(2,1,3-benzothiadiazol-4-yl)-6-methyl-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N,4-N-bis(2,1,3-benzothiadiazol-4-yl)-6-methyl-5-nitropyrimidine-2,4-diamine Traditional Name: [4-methyl-5-nitro-6-(piazthiol-4-ylamino)pyrimidin-2-yl]-piazthiol-4-yl-amine Formula: C17H11N9O2S2 MolecularWeight: 437.45834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC=CC3=NSN=C32)NC4=CC=CC5=NSN=C54)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC=CC3=NSN=C32)NC4=CC=CC5=NSN=C54)[N+](=O)[O-]

InChI

InChI=1S/C17H11N9O2S2/c1-8-15(26(27)28)16(19-9-4-2-6-11-13(9)24-29-22-11)21-17(18-8)20-10-5-3-7-12-14(10)25-30-23-12/h2-7H,1H3,(H2,18,19,20,21)