2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid

Systemtic Name: 2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-4-oxidanylidene-3-(phenylmethyl)quinazoline-7-carboxylic acid Openeye Name: 3-benzyl-2-[2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylic acid CAS Name: 2-[[1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-4-oxo-3-(phenylmethyl)-7-quinazolinecarboxylic acid IUPAC Name: 3-benzyl-2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-4-oxoquinazoline-7-carboxylic acid Traditional Name: 3-benzyl-2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]-4-keto-quinazoline-7-carboxylic acid Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)O)C(=O)N2CC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O4S/c1-18(24(31)28-15-14-19-8-4-2-5-9-19)35-27-29-23-16-21(26(33)34)12-13-22(23)25(32)30(27)17-20-10-6-3-7-11-20/h3,6-8,10-13,16,18H,2,4-5,9,14-15,17H2,1H3,(H,28,31)(H,33,34)