4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-isopropyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(2-oxolanylmethyl)-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-(oxolan-2-ylmethyl)-N-propan-2-yl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-isopropyl-4-keto-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S/c1-10(2)18-15(21)11-5-6-13-14(8-11)19-17(24)20(16(13)22)9-12-4-3-7-23-12/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,21)(H,19,24)