3-azanyl-4-oxidanylidene-3-(3-phenylpropyl)-1-pyrimidin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide

Systemtic Name: 3-azanyl-4-oxidanylidene-3-(3-phenylpropyl)-1-pyrimidin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Openeye Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-pyrimidin-2-yl-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide CAS Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-(2-pyrimidinyl)-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)-2-piperazin-4-iumcarboxamide IUPAC Name: 3-amino-4-oxo-3-(3-phenylpropyl)-1-pyrimidin-2-yl-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Traditional Name: 3-amino-4-keto-3-(3-phenylpropyl)-1-(2-pyrimidyl)-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)piperazin-4-ium-2-carboxamide Formula: C20H23N8O2S2+ MolecularWeight: 471.57902

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](=O)C(C(N1C2=NC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

Isomeric SMILES

C1C[N+](=O)C(C(N1C2=NC=CC=N2)C(=O)NC3=NNC(=S)S3)(CCCC4=CC=CC=C4)N

InChI

InChI=1S/C20H22N8O2S2/c21-20(9-4-8-14-6-2-1-3-7-14)15(16(29)24-18-25-26-19(31)32-18)27(12-13-28(20)30)17-22-10-5-11-23-17/h1-3,5-7,10-11,15H,4,8-9,12-13,21H2,(H-,24,25,26,29,31)/p+1