methyl 4-oxidanylidene-2-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[tetrahydrofuran-2-ylmethyl(2-thienylmethyl)amino]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[2-oxolanylmethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[tetrahydrofurfuryl(2-thenyl)amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3CCCO3)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CN(CC3CCCO3)CC4=CC=CS4

InChI

InChI=1S/C21H23N3O4S/c1-27-21(26)14-6-7-17-18(10-14)22-19(23-20(17)25)13-24(11-15-4-2-8-28-15)12-16-5-3-9-29-16/h3,5-7,9-10,15H,2,4,8,11-13H2,1H3,(H,22,23,25)