3-methyl-4-oxidanylidene-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[3-(1-pyrazolyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-(3-pyrazol-1-ylpropyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-methyl-N-(3-pyrazol-1-ylpropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C16H17N5O2S MolecularWeight: 343.40348

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCCN3C=CC=N3)NC1=S

InChI

InChI=1S/C16H17N5O2S/c1-20-15(23)12-5-4-11(10-13(12)19-16(20)24)14(22)17-6-2-8-21-9-3-7-18-21/h3-5,7,9-10H,2,6,8H2,1H3,(H,17,22)(H,19,24)