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

Systemtic Name: N4,N6-bis(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4,N6-bis(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4,N6-bis(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N,6-N-bis(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: 1,3-benzothiazol-2-yl-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H11N7O2S2 MolecularWeight: 421.45564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC3=C(C(=NC=N3)NC4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C18H11N7O2S2/c26-25(27)14-15(23-17-21-10-5-1-3-7-12(10)28-17)19-9-20-16(14)24-18-22-11-6-2-4-8-13(11)29-18/h1-9H,(H2,19,20,21,22,23,24)