ethyl 2-[7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(4-methylpiperazin-1-yl)carbonyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-allyl-7-(4-methylpiperazine-1-carbonyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[(4-methyl-1-piperazinyl)-oxomethyl]-4-oxo-3-prop-2-enyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(4-methylpiperazine-1-carbonyl)-4-oxo-3-prop-2-enylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-allyl-4-keto-7-(4-methylpiperazine-1-carbonyl)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1CC=C

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C)C(=O)N1CC=C

InChI

InChI=1S/C21H26N4O4S/c1-4-8-25-20(28)16-7-6-15(19(27)24-11-9-23(3)10-12-24)13-17(16)22-21(25)30-14-18(26)29-5-2/h4,6-7,13H,1,5,8-12,14H2,2-3H3