methyl 4-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-(4-phenylazanylquinazolin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(4-anilino-2-quinazolinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-anilinoquinazolin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(4-anilinoquinazolin-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2C(=N1)NC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O3S/c1-28-19(27)12-7-13-22-18(26)14-29-21-24-17-11-6-5-10-16(17)20(25-21)23-15-8-3-2-4-9-15/h2-6,8-11H,7,12-14H2,1H3,(H,22,26)(H,23,24,25)