methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloranylpyridazin-3-yl)amino]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloropyridazin-3-yl)amino]-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-[(6-chloro-3-pyridazinyl)amino]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylphenyl)methylsulfanyl]-3-[(6-chloropyridazin-3-yl)amino]-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-[(6-chloropyridazin-3-yl)amino]-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H24ClN5O3S MolecularWeight: 510.00776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2NC4=NN=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C25H24ClN5O3S/c1-25(2,3)17-8-5-15(6-9-17)14-35-24-27-19-13-16(23(33)34-4)7-10-18(19)22(32)31(24)30-21-12-11-20(26)28-29-21/h5-13H,14H2,1-4H3,(H,29,30)