N-cyclopentyl-2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: N-cyclopentyl-2-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-2-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[[2-(2,4-dimethylphenyl)-2-oxoethyl]thio]-4-oxo-3-(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[2-(2,4-dimethylphenyl)-2-oxoethyl]sulfanyl-4-oxo-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: N-cyclopentyl-2-[[2-(2,4-dimethylphenyl)-2-keto-ethyl]thio]-4-keto-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5CCCO5)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)CSC2=NC3=C(C=CC(=C3)C(=O)NC4CCCC4)C(=O)N2CC5CCCO5)C

InChI

InChI=1S/C29H33N3O4S/c1-18-9-11-23(19(2)14-18)26(33)17-37-29-31-25-15-20(27(34)30-21-6-3-4-7-21)10-12-24(25)28(35)32(29)16-22-8-5-13-36-22/h9-12,14-15,21-22H,3-8,13,16-17H2,1-2H3,(H,30,34)