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

Systemtic Name: 4-oxidanylidene-3-(oxolan-2-ylmethyl)-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-N-pentyl-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-(2-oxolanylmethyl)-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-(oxolan-2-ylmethyl)-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-amyl-4-keto-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CC3CCCO3

InChI

InChI=1S/C19H25N3O3S/c1-2-3-4-9-20-17(23)13-7-8-15-16(11-13)21-19(26)22(18(15)24)12-14-6-5-10-25-14/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,20,23)(H,21,26)