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

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

Systemtic Name:6-methoxy-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine
Openeye Name:6-methoxy-N-(5-nitro-6-phenylsulfanyl-pyrimidin-4-yl)-1,3-benzothiazol-2-amine
CAS Name:6-methoxy-N-[5-nitro-6-(phenylthio)-4-pyrimidinyl]-1,3-benzothiazol-2-amine
IUPAC Name:6-methoxy-N-(5-nitro-6-phenylsulfanylpyrimidin-4-yl)-1,3-benzothiazol-2-amine
Traditional Name:(6-methoxy-1,3-benzothiazol-2-yl)-[5-nitro-6-(phenylthio)pyrimidin-4-yl]amine
Formula: C18H13N5O3S2
MolecularWeight: 411.45752
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]


Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)NC3=C(C(=NC=N3)SC4=CC=CC=C4)[N+](=O)[O-]


InChI

InChI=1S/C18H13N5O3S2/c1-26-11-7-8-13-14(9-11)28-18(21-13)22-16-15(23(24)25)17(20-10-19-16)27-12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20,21,22)


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