N-(3-methylbutyl)-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(3-methylbutyl)-4-oxidanylidene-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-isopentyl-4-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methylbutyl)-4-oxo-3-[[(2S)-2-oxolanyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methylbutyl)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-isoamyl-4-keto-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3

Isomeric SMILES

CC(C)CCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)C[C@@H]3CCCO3

InChI

InChI=1S/C19H25N3O3S/c1-12(2)7-8-20-17(23)13-5-6-15-16(10-13)21-19(26)22(18(15)24)11-14-4-3-9-25-14/h5-6,10,12,14H,3-4,7-9,11H2,1-2H3,(H,20,23)(H,21,26)/t14-/m0/s1