3-[3-(azepan-1-ium-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-(1-azepan-1-iumyl)propyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6-morpholin-4-yl-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-(azepan-1-ium-1-yl)propyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

Isomeric SMILES

C1CCC[NH+](CC1)CCCN2C(=O)C3=C(C=CC(=C3)N4CCOCC4)NC2=S

InChI

InChI=1S/C21H30N4O2S/c26-20-18-16-17(24-12-14-27-15-13-24)6-7-19(18)22-21(28)25(20)11-5-10-23-8-3-1-2-4-9-23/h6-7,16H,1-5,8-15H2,(H,22,28)/p+1