4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pentyl-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-N-pentyl-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-amyl-4-keto-3-[3-(2-ketopyrrolidino)propyl]-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

Isomeric SMILES

CCCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)CCCN3CCCC3=O

InChI

InChI=1S/C21H28N4O3S/c1-2-3-4-10-22-19(27)15-8-9-16-17(14-15)23-21(29)25(20(16)28)13-6-12-24-11-5-7-18(24)26/h8-9,14H,2-7,10-13H2,1H3,(H,22,27)(H,23,29)