7-(3-morpholin-4-ylpropylcarbamoyl)-3-pentyl-2-sulfanylidene-quinazolin-4-olate

Systemtic Name: 7-(3-morpholin-4-ylpropylcarbamoyl)-3-pentyl-2-sulfanylidene-quinazolin-4-olate Openeye Name: 7-(3-morpholinopropylcarbamoyl)-3-pentyl-2-thioxo-quinazolin-4-olate CAS Name: 7-[[3-(4-morpholinyl)propylamino]-oxomethyl]-3-pentyl-2-sulfanylidene-4-quinazolinolate IUPAC Name: 7-(3-morpholin-4-ylpropylcarbamoyl)-3-pentyl-2-sulfanylidenequinazolin-4-olate Traditional Name: 3-amyl-7-(3-morpholinopropylcarbamoyl)-2-thioxo-quinazolin-4-olate Formula: C21H29N4O3S- MolecularWeight: 417.54496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCCN3CCOCC3)[O-]

Isomeric SMILES

CCCCCN1C(=C2C=CC(=CC2=NC1=S)C(=O)NCCCN3CCOCC3)[O-]

InChI

InChI=1S/C21H30N4O3S/c1-2-3-4-10-25-20(27)17-7-6-16(15-18(17)23-21(25)29)19(26)22-8-5-9-24-11-13-28-14-12-24/h6-7,15,27H,2-5,8-14H2,1H3,(H,22,26)/p-1