3-(3-ethoxypropyl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-(3-ethoxypropyl)-4-oxidanylidene-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(3-ethoxypropyl)-4-oxo-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(3-ethoxypropyl)-4-oxo-N-(2-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(3-ethoxypropyl)-4-oxo-N-(pyridin-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(3-ethoxypropyl)-4-keto-N-(2-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=N3)NC1=S

InChI

InChI=1S/C20H22N4O3S/c1-2-27-11-5-10-24-19(26)16-8-7-14(12-17(16)23-20(24)28)18(25)22-13-15-6-3-4-9-21-15/h3-4,6-9,12H,2,5,10-11,13H2,1H3,(H,22,25)(H,23,28)