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

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-(2-furylmethyl)-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-(2-furfuryl)-4-keto-2-[[2-keto-2-[(5-methyl-1H-pyrazol-3-yl)amino]ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C21H19N5O5S MolecularWeight: 453.47106

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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)N2CC4=CC=CO4

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H19N5O5S/c1-12-8-17(25-24-12)23-18(27)11-32-21-22-16-9-13(20(29)30-2)5-6-15(16)19(28)26(21)10-14-4-3-7-31-14/h3-9H,10-11H2,1-2H3,(H2,23,24,25,27)