4-oxidanylidene-N-(6-piperidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(6-piperidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-[6-(1-piperidyl)-3-pyridyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-N-[6-(1-piperidinyl)-3-pyridinyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-N-(6-piperidin-1-ylpyridin-3-yl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(6-piperidino-3-pyridyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H19N5O2S MolecularWeight: 381.45146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CCN(CC1)C2=NC=C(C=C2)NC(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C19H19N5O2S/c25-17(12-4-6-14-15(10-12)22-19(27)23-18(14)26)21-13-5-7-16(20-11-13)24-8-2-1-3-9-24/h4-7,10-11H,1-3,8-9H2,(H,21,25)(H2,22,23,26,27)