N-cyclopentyl-3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(2-methoxyethyl)-2-(m-tolylmethylsulfanyl)-4-oxo-quinazoline-7-carboxamide CAS Name: N-cyclopentyl-3-(2-methoxyethyl)-2-[(3-methylphenyl)methylthio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-3-(2-methoxyethyl)-2-[(3-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-3-(2-methoxyethyl)-2-[(3-methylbenzyl)thio]quinazoline-7-carboxamide Formula: C25H29N3O3S MolecularWeight: 451.58106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCOC

Isomeric SMILES

CC1=CC(=CC=C1)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CCOC

InChI

InChI=1S/C25H29N3O3S/c1-17-6-5-7-18(14-17)16-32-25-27-22-15-19(23(29)26-20-8-3-4-9-20)10-11-21(22)24(30)28(25)12-13-31-2/h5-7,10-11,14-15,20H,3-4,8-9,12-13,16H2,1-2H3,(H,26,29)