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

Systemtic Name: methyl 2-[1-(cyclohexylmethylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(cyclohexylmethylamino)-1-methyl-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(cyclohexylmethylamino)-2-keto-1-methyl-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H29N3O5S MolecularWeight: 483.57986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

Isomeric SMILES

CC(C(=O)NCC1CCCCC1)SC2=NC3=C(C=CC(=C3)C(=O)OC)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C25H29N3O5S/c1-16(22(29)26-14-17-7-4-3-5-8-17)34-25-27-21-13-18(24(31)32-2)10-11-20(21)23(30)28(25)15-19-9-6-12-33-19/h6,9-13,16-17H,3-5,7-8,14-15H2,1-2H3,(H,26,29)