(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-methyl-1-(phenylmethyl)thieno[2,3-c]pyrazole-5-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylate CAS Name: 3-methyl-1-(phenylmethyl)-5-thieno[2,3-c]pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-benzyl-3-methylthieno[2,3-c]pyrazole-5-carboxylate Traditional Name: 1-benzyl-3-methyl-thieno[2,3-c]pyrazole-5-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H17ClN4O3S MolecularWeight: 464.92408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)CC5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)CC5=CC=CC=C5

InChI

InChI=1S/C23H17ClN4O3S/c1-13-17-10-19(32-22(17)28(27-13)11-14-5-3-2-4-6-14)23(30)31-12-20-25-18-9-15(24)7-8-16(18)21(29)26-20/h2-10H,11-12H2,1H3,(H,25,26,29)