methyl 2-[1-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-[2-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-[2-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[2-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-[2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[2-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]acetyl]-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C21H26N4O5S MolecularWeight: 446.51994

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCNC(=O)C3CC(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCNC(=O)C3CC(=O)OC

InChI

InChI=1S/C21H26N4O5S/c1-13(2)11-25-20(29)14-6-4-5-7-15(14)23-21(25)31-12-17(26)24-9-8-22-19(28)16(24)10-18(27)30-3/h4-7,13,16H,8-12H2,1-3H3,(H,22,28)