6,7-dimethoxy-4-[4-[(Z)-1-methylsulfanyl-2-nitro-ethenyl]piperazin-1-yl]quinazoline

Systemtic Name: 6,7-dimethoxy-4-[4-[(Z)-1-methylsulfanyl-2-nitro-ethenyl]piperazin-1-yl]quinazoline Openeye Name: 6,7-dimethoxy-4-[4-[(Z)-1-methylsulfanyl-2-nitro-vinyl]piperazin-1-yl]quinazoline CAS Name: 6,7-dimethoxy-4-[4-[(Z)-1-(methylthio)-2-nitroethenyl]-1-piperazinyl]quinazoline IUPAC Name: 6,7-dimethoxy-4-[4-[(Z)-1-methylsulfanyl-2-nitroethenyl]piperazin-1-yl]quinazoline Traditional Name: 6,7-dimethoxy-4-[4-[(Z)-1-(methylthio)-2-nitro-vinyl]piperazino]quinazoline Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)C(=C[N+](=O)[O-])SC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)N3CCN(CC3)/C(=C/[N+](=O)[O-])/SC)OC

InChI

InChI=1S/C17H21N5O4S/c1-25-14-8-12-13(9-15(14)26-2)18-11-19-17(12)21-6-4-20(5-7-21)16(27-3)10-22(23)24/h8-11H,4-7H2,1-3H3/b16-10-