3-(2-methoxyethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 3-(2-methoxyethyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-benzylsulfanyl-3-(2-methoxyethyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 3-(2-methoxyethyl)-4-oxo-2-(phenylmethylthio)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-benzylsulfanyl-3-(2-methoxyethyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-(benzylthio)-4-keto-3-(2-methoxyethyl)-N-propyl-quinazoline-7-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCOC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3)CCOC

InChI

InChI=1S/C22H25N3O3S/c1-3-11-23-20(26)17-9-10-18-19(14-17)24-22(25(21(18)27)12-13-28-2)29-15-16-7-5-4-6-8-16/h4-10,14H,3,11-13,15H2,1-2H3,(H,23,26)