methyl 2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC(C(=O)NCCC1=CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C26H29N3O5S/c1-17(23(30)27-13-12-18-7-4-3-5-8-18)35-26-28-22-15-19(25(32)33-2)10-11-21(22)24(31)29(26)16-20-9-6-14-34-20/h6-7,9-11,14-15,17H,3-5,8,12-13,16H2,1-2H3,(H,27,30)