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

Systemtic Name: 6-azanyl-3-ethyl-1-(phenylmethyl)-5-[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-3-ethyl-5-[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]ethyl]-1-(phenylmethyl)pyrimidine-2,4-dione IUPAC Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-benzyl-3-ethyl-5-[2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-quinone Formula: C24H30N5O3S+ MolecularWeight: 468.5917

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)C[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C24H29N5O3S/c1-2-28-23(31)21(22(25)29(24(28)32)15-18-7-4-3-5-8-18)20(30)17-27-12-10-26(11-13-27)16-19-9-6-14-33-19/h3-9,14H,2,10-13,15-17,25H2,1H3/p+1