3-methyl-7-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 3-methyl-7-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]-2-sulfanylidene-quinazolin-4-olate Openeye Name: 3-methyl-7-[[(1S)-1-(2-pyridyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate CAS Name: 3-methyl-7-[oxo-[[(1S)-1-(2-pyridinyl)ethyl]amino]methyl]-2-sulfanylidene-4-quinazolinolate IUPAC Name: 3-methyl-7-[[(1S)-1-pyridin-2-ylethyl]carbamoyl]-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-methyl-7-[[(1S)-1-(2-pyridyl)ethyl]carbamoyl]-2-thioxo-quinazolin-4-olate Formula: C17H15N4O2S- MolecularWeight: 339.3916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=N1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

Isomeric SMILES

C[C@@H](C1=CC=CC=N1)NC(=O)C2=CC3=NC(=S)N(C(=C3C=C2)[O-])C

InChI

InChI=1S/C17H16N4O2S/c1-10(13-5-3-4-8-18-13)19-15(22)11-6-7-12-14(9-11)20-17(24)21(2)16(12)23/h3-10,23H,1-2H3,(H,19,22)/p-1/t10-/m0/s1