6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-1-benzyl-3-ethyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3-ethyl-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]acetyl]-1-benzyl-3-ethylpyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-5-[2-(4-besylpiperazin-1-ium-1-yl)acetyl]-3-ethyl-pyrimidine-2,4-quinone Formula: C25H30N5O5S+ MolecularWeight: 512.6012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O5S/c1-2-29-24(32)22(23(26)30(25(29)33)17-19-9-5-3-6-10-19)21(31)18-27-13-15-28(16-14-27)36(34,35)20-11-7-4-8-12-20/h3-12H,2,13-18,26H2,1H3/p+1