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

Systemtic Name: 4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-benzyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(2-oxolanylmethyl)-N-(phenylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-benzyl-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-benzyl-4-keto-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c25-19(22-12-14-5-2-1-3-6-14)15-8-9-17-18(11-15)23-21(28)24(20(17)26)13-16-7-4-10-27-16/h1-3,5-6,8-9,11,16H,4,7,10,12-13H2,(H,22,25)(H,23,28)