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

Systemtic Name: 3-(furan-2-ylmethyl)-4-oxidanylidene-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-4-oxo-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-(2-furanylmethyl)-4-oxo-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-(furan-2-ylmethyl)-4-oxo-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-4-keto-N-(3-pyridylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H16N4O3S MolecularWeight: 392.43104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

Isomeric SMILES

C1=CC(=CN=C1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=S)N3)CC4=CC=CO4

InChI

InChI=1S/C20H16N4O3S/c25-18(22-11-13-3-1-7-21-10-13)14-5-6-16-17(9-14)23-20(28)24(19(16)26)12-15-4-2-8-27-15/h1-10H,11-12H2,(H,22,25)(H,23,28)