6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-methyl-1-(phenylmethyl)-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-methyl-5-[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-methyl-5-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-methyl-5-[2-[4-(2-thienylsulfonyl)piperazino]acetyl]pyrimidine-2,4-quinone Formula: C22H25N5O5S2 MolecularWeight: 503.5944

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C22H25N5O5S2/c1-24-21(29)19(20(23)27(22(24)30)14-16-6-3-2-4-7-16)17(28)15-25-9-11-26(12-10-25)34(31,32)18-8-5-13-33-18/h2-8,13H,9-12,14-15,23H2,1H3