2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-(cyanomethylsulfanyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-(cyanomethylsulfanyl)-4-oxo-N-propyl-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-(cyanomethylthio)-4-oxo-3-(2-oxolanylmethyl)-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-(cyanomethylsulfanyl)-4-oxo-3-(oxolan-2-ylmethyl)-N-propylquinazoline-7-carboxamide Traditional Name: 2-(cyanomethylthio)-4-keto-N-propyl-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C19H22N4O3S MolecularWeight: 386.46798

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3CCCO3

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC#N)CC3CCCO3

InChI

InChI=1S/C19H22N4O3S/c1-2-8-21-17(24)13-5-6-15-16(11-13)22-19(27-10-7-20)23(18(15)25)12-14-4-3-9-26-14/h5-6,11,14H,2-4,8-10,12H2,1H3,(H,21,24)