methyl (2S)-2-[[2-[(furan-3-ylcarbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[2-[(furan-3-ylcarbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[2-[(furan-3-carbonylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[2-[[[3-furanyl(oxo)methyl]amino]methyl]-4-quinazolinyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[(furan-3-carbonylamino)methyl]quinazolin-4-yl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[2-[(3-furoylamino)methyl]quinazolin-4-yl]amino]-3-methyl-butyric acid methyl ester Formula: C20H22N4O4 MolecularWeight: 382.41308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=COC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC1=NC(=NC2=CC=CC=C21)CNC(=O)C3=COC=C3

InChI

InChI=1S/C20H22N4O4/c1-12(2)17(20(26)27-3)24-18-14-6-4-5-7-15(14)22-16(23-18)10-21-19(25)13-8-9-28-11-13/h4-9,11-12,17H,10H2,1-3H3,(H,21,25)(H,22,23,24)/t17-/m0/s1