2-[(4-methylpiperazin-1-yl)methyl]-3-(2-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-sulfonamide

Systemtic Name: 2-[(4-methylpiperazin-1-yl)methyl]-3-(2-nitrophenyl)-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-sulfonamide Openeye Name: 2-[(4-methylpiperazin-1-yl)methyl]-3-(2-nitrophenyl)-4-oxo-thieno[2,3-d]pyrimidine-6-sulfonamide CAS Name: 2-[(4-methyl-1-piperazinyl)methyl]-3-(2-nitrophenyl)-4-oxo-6-thieno[2,3-d]pyrimidinesulfonamide IUPAC Name: 2-[(4-methylpiperazin-1-yl)methyl]-3-(2-nitrophenyl)-4-oxothieno[2,3-d]pyrimidine-6-sulfonamide Traditional Name: 4-keto-2-[(4-methylpiperazino)methyl]-3-(2-nitrophenyl)thieno[2,3-d]pyrimidine-6-sulfonamide Formula: C18H20N6O5S2 MolecularWeight: 464.5186

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N)C(=O)N2C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N)C(=O)N2C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O5S2/c1-21-6-8-22(9-7-21)11-15-20-17-12(10-16(30-17)31(19,28)29)18(25)23(15)13-4-2-3-5-14(13)24(26)27/h2-5,10H,6-9,11H2,1H3,(H2,19,28,29)