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

Systemtic Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(1,3-benzothiazol-2-yl)-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine Traditional Name: (6-amino-5-nitro-pyrimidin-4-yl)-(1,3-benzothiazol-2-yl)amine Formula: C11H8N6O2S MolecularWeight: 288.28522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H8N6O2S/c12-9-8(17(18)19)10(14-5-13-9)16-11-15-6-3-1-2-4-7(6)20-11/h1-5H,(H3,12,13,14,15,16)