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

Systemtic Name: 3-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-sulfonamide Openeye Name: 3-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxo-thieno[2,3-d]pyrimidine-6-sulfonamide CAS Name: 3-(2-chlorophenyl)-2-[(4-methyl-1-piperazinyl)methyl]-4-oxo-6-thieno[2,3-d]pyrimidinesulfonamide IUPAC Name: 3-(2-chlorophenyl)-2-[(4-methylpiperazin-1-yl)methyl]-4-oxothieno[2,3-d]pyrimidine-6-sulfonamide Traditional Name: 3-(2-chlorophenyl)-4-keto-2-[(4-methylpiperazino)methyl]thieno[2,3-d]pyrimidine-6-sulfonamide Formula: C18H20ClN5O3S2 MolecularWeight: 453.9661

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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=C4Cl

Isomeric SMILES

CN1CCN(CC1)CC2=NC3=C(C=C(S3)S(=O)(=O)N)C(=O)N2C4=CC=CC=C4Cl

InChI

InChI=1S/C18H20ClN5O3S2/c1-22-6-8-23(9-7-22)11-15-21-17-12(10-16(28-17)29(20,26)27)18(25)24(15)14-5-3-2-4-13(14)19/h2-5,10H,6-9,11H2,1H3,(H2,20,26,27)