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

Systemtic Name: 3-(2-cyanophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-sulfonamide Openeye Name: 3-(2-cyanophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-sulfonamide CAS Name: 3-(2-cyanophenyl)-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinesulfonamide IUPAC Name: 3-(2-cyanophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-sulfonamide Traditional Name: 3-(2-cyanophenyl)-4-keto-2-[(4-methylpiperazino)methyl]thieno[2,3-d]pyrimidine-6-sulfonamide Formula: C19H20N6O3S2 MolecularWeight: 444.5305

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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=C4C#N

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N)C(=O)N2C4=CC=CC=C4C#N

InChI

InChI=1S/C19H20N6O3S2/c1-23-6-8-24(9-7-23)12-16-22-18-14(10-17(29-18)30(21,27)28)19(26)25(16)15-5-3-2-4-13(15)11-20/h2-5,10H,6-9,12H2,1H3,(H2,21,27,28)