3-methyl-7-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[oxo-[[(1S)-1-[(2R)-2-oxolanyl]ethyl]amino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C16H18N3O3S- MolecularWeight: 332.39742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CCCO1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

Isomeric SMILES

C[C@@H]([C@H]1CCCO1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

InChI

InChI=1S/C16H19N3O3S/c1-9(13-4-3-7-22-13)17-14(20)10-5-6-11-12(8-10)18-16(23)19(2)15(11)21/h5-6,8-9,13,21H,3-4,7H2,1-2H3,(H,17,20)/p-1/t9-,13+/m0/s1