6-azanyl-1-propyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-1-propyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoyl]pyrimidine-2,4-dione Openeye Name: 6-amino-1-propyl-5-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-dione CAS Name: 6-amino-5-[1-oxo-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]ethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-1-propyl-5-[2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetyl]pyrimidine-2,4-dione Traditional Name: 6-amino-1-propyl-5-[2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetyl]pyrimidine-2,4-quinone Formula: C16H23N6O3S+ MolecularWeight: 379.45722

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)C[NH+]2CCN(CC2)C3=NC=CS3)N

InChI

InChI=1S/C16H22N6O3S/c1-2-4-22-13(17)12(14(24)19-15(22)25)11(23)10-20-5-7-21(8-6-20)16-18-3-9-26-16/h3,9H,2,4-8,10,17H2,1H3,(H,19,24,25)/p+1