methyl 3-(furan-2-ylmethyl)-2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(furan-2-ylmethyl)-2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-[[(1R)-1,4-dimethylpentyl]amino]-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-furanylmethyl)-2-[[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(furan-2-ylmethyl)-2-[2-[[(2R)-5-methylhexan-2-yl]amino]-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-[[(1R)-1,4-dimethylpentyl]amino]-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

Isomeric SMILES

C[C@H](CCC(C)C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

InChI

InChI=1S/C24H29N3O5S/c1-15(2)7-8-16(3)25-21(28)14-33-24-26-20-12-17(23(30)31-4)9-10-19(20)22(29)27(24)13-18-6-5-11-32-18/h5-6,9-12,15-16H,7-8,13-14H2,1-4H3,(H,25,28)/t16-/m1/s1