methyl 2-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[(2,4-dimethylphenyl)methyl-methyl-amino]-2-oxo-ethyl]sulfanyl-3-isobutyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]thio]-3-(2-methylpropyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[(2,4-dimethylbenzyl)-methyl-amino]-2-keto-ethyl]thio]-3-isobutyl-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H31N3O4S MolecularWeight: 481.60704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC(C)C)C

InChI

InChI=1S/C26H31N3O4S/c1-16(2)13-29-24(31)21-10-9-19(25(32)33-6)12-22(21)27-26(29)34-15-23(30)28(5)14-20-8-7-17(3)11-18(20)4/h7-12,16H,13-15H2,1-6H3