N-(6-diazanyl-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine

Systemtic Name: N-(6-diazanyl-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-(6-hydrazino-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-(6-hydrazinyl-5-nitro-4-pyrimidinyl)-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-(6-hydrazinyl-5-nitropyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: (6-hydrazino-5-nitro-pyrimidin-4-yl)-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C12H11N7O3S MolecularWeight: 333.32584

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NN)[N+](=O)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)NN)[N+](=O)[O-]

InChI

InChI=1S/C12H11N7O3S/c1-22-6-2-3-7-8(4-6)23-12(16-7)17-10-9(19(20)21)11(18-13)15-5-14-10/h2-5H,13H2,1H3,(H2,14,15,16,17,18)