methyl 2-[2-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(cyclopentylcarbamoylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclopentylcarbamoylamino)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(cyclopentylcarbamoylamino)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C19H22N4O5S MolecularWeight: 418.46678

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C19H22N4O5S/c1-28-16(25)10-23-17(26)13-8-4-5-9-14(13)21-19(23)29-11-15(24)22-18(27)20-12-6-2-3-7-12/h4-5,8-9,12H,2-3,6-7,10-11H2,1H3,(H2,20,22,24,27)