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

Systemtic Name: N-(3-methoxypropyl)-4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(3-methoxypropyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(3-methoxypropyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(3-methoxypropyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-[3-(2-ketopyrrolidino)propyl]-N-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4S/c1-28-12-3-8-21-18(26)14-6-7-15-16(13-14)22-20(29)24(19(15)27)11-4-10-23-9-2-5-17(23)25/h6-7,13H,2-5,8-12H2,1H3,(H,21,26)(H,22,29)