2-[2-[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[3-(2-diethylaminoethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[3-(2-diethylaminoethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[[3-(2-diethylaminoethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[3-(2-diethylaminoethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[[3-(2-diethylaminoethyl)-4-keto-quinazolin-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CCN(CC)CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C26H30N4O4S/c1-3-28(4-2)13-14-29-24(32)20-11-7-8-12-21(20)27-26(29)35-17-23(31)30-16-19-10-6-5-9-18(19)15-22(30)25(33)34/h5-12,22H,3-4,13-17H2,1-2H3,(H,33,34)