methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[2-oxidanylidene-2-(pentan-2-ylamino)ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1-methylbutylamino)-2-oxo-ethyl]sulfanyl-4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxylate CAS Name: 4-oxo-3-(2-oxolanylmethyl)-2-[[2-oxo-2-(pentan-2-ylamino)ethyl]thio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-(oxolan-2-ylmethyl)-2-[2-oxo-2-(pentan-2-ylamino)ethyl]sulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(1-methylbutylamino)ethyl]thio]-3-(tetrahydrofurfuryl)quinazoline-7-carboxylic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

Isomeric SMILES

CCCC(C)NC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3CCCO3

InChI

InChI=1S/C22H29N3O5S/c1-4-6-14(2)23-19(26)13-31-22-24-18-11-15(21(28)29-3)8-9-17(18)20(27)25(22)12-16-7-5-10-30-16/h8-9,11,14,16H,4-7,10,12-13H2,1-3H3,(H,23,26)