methyl 2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-3-[2-(4-morpholin-4-iumyl)ethyl]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-3-(2-morpholin-4-ium-4-ylethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethyl]thio]-3-(2-morpholin-4-ium-4-ylethyl)quinazoline-7-carboxylic acid methyl ester Formula: C22H27N6O5S+ MolecularWeight: 487.55198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC[NH+]4CCOCC4

InChI

InChI=1S/C22H26N6O5S/c1-14-11-18(26-25-14)24-19(29)13-34-22-23-17-12-15(21(31)32-2)3-4-16(17)20(30)28(22)6-5-27-7-9-33-10-8-27/h3-4,11-12H,5-10,13H2,1-2H3,(H2,24,25,26,29)/p+1