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

Systemtic Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: N-cyclopentyl-3-(2-methoxyethyl)-4-oxo-2-[(4-vinylphenyl)methylsulfanyl]quinazoline-7-carboxamide CAS Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylthio]-3-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: N-cyclopentyl-2-[(4-ethenylphenyl)methylsulfanyl]-3-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: N-cyclopentyl-4-keto-3-(2-methoxyethyl)-2-[(4-vinylbenzyl)thio]quinazoline-7-carboxamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=C(C=C4)C=C

Isomeric SMILES

COCCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCCC3)N=C1SCC4=CC=C(C=C4)C=C

InChI

InChI=1S/C26H29N3O3S/c1-3-18-8-10-19(11-9-18)17-33-26-28-23-16-20(24(30)27-21-6-4-5-7-21)12-13-22(23)25(31)29(26)14-15-32-2/h3,8-13,16,21H,1,4-7,14-15,17H2,2H3,(H,27,30)