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

Systemtic Name: N-(6-chloranyl-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine Openeye Name: N-(6-chloro-5-nitro-pyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine CAS Name: N-(6-chloro-5-nitro-4-pyrimidinyl)-6-methoxy-1,3-benzothiazol-2-amine IUPAC Name: N-(6-chloro-5-nitropyrimidin-4-yl)-6-methoxy-1,3-benzothiazol-2-amine Traditional Name: (6-chloro-5-nitro-pyrimidin-4-yl)-(6-methoxy-1,3-benzothiazol-2-yl)amine Formula: C12H8ClN5O3S MolecularWeight: 337.74162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClN5O3S/c1-21-6-2-3-7-8(4-6)22-12(16-7)17-11-9(18(19)20)10(13)14-5-15-11/h2-5H,1H3,(H,14,15,16,17)