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

Systemtic Name: 4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-(3-pyridylmethyl)-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(2-oxolanylmethyl)-N-(3-pyridinylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-pyridylmethyl)-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CN=CC=C4)NC2=S

InChI

InChI=1S/C20H20N4O3S/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/h1,3,5-7,9-10,15H,2,4,8,11-12H2,(H,22,25)(H,23,28)