6-azanyl-5-[2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione

Systemtic Name: 6-azanyl-5-[2-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-1H-quinazolin-3-ium-2-yl]sulfanyl]ethanoyl]-1-propyl-pyrimidine-2,4-dione Openeye Name: 6-amino-5-[2-[[3-(4-methyl-2-pyridyl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetyl]-1-propyl-pyrimidine-2,4-dione CAS Name: 6-amino-5-[2-[[3-(4-methyl-2-pyridinyl)-4-oxo-1H-quinazolin-3-ium-2-yl]thio]-1-oxoethyl]-1-propylpyrimidine-2,4-dione IUPAC Name: 6-amino-5-[2-[[3-(4-methylpyridin-2-yl)-4-oxo-1H-quinazolin-3-ium-2-yl]sulfanyl]acetyl]-1-propylpyrimidine-2,4-dione Traditional Name: 6-amino-5-[2-[[4-keto-3-(4-methyl-2-pyridyl)-1H-quinazolin-3-ium-2-yl]thio]acetyl]-1-propyl-pyrimidine-2,4-quinone Formula: C23H23N6O4S+ MolecularWeight: 479.53152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=[N+](C(=O)C3=CC=CC=C3N2)C4=NC=CC(=C4)C)N

Isomeric SMILES

CCCN1C(=C(C(=O)NC1=O)C(=O)CSC2=[N+](C(=O)C3=CC=CC=C3N2)C4=NC=CC(=C4)C)N

InChI

InChI=1S/C23H22N6O4S/c1-3-10-28-19(24)18(20(31)27-22(28)33)16(30)12-34-23-26-15-7-5-4-6-14(15)21(32)29(23)17-11-13(2)8-9-25-17/h4-9,11H,3,10,12H2,1-2H3,(H3,24,27,30,31,33)/p+1