dimethyl 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate

Systemtic Name: dimethyl 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Openeye Name: dimethyl 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylene]propanedioate CAS Name: 2-[[[6-[(2-methyl-1-oxopropyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[[6-(2-methylpropanoylamino)quinazolin-4-yl]amino]methylidene]propanedioate Traditional Name: 2-[[[6-(isobutyrylamino)quinazolin-4-yl]amino]methylene]malonic acid dimethyl ester Formula: C18H20N4O5 MolecularWeight: 372.3752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)OC)C(=O)OC

Isomeric SMILES

CC(C)C(=O)NC1=CC2=C(C=C1)N=CN=C2NC=C(C(=O)OC)C(=O)OC

InChI

InChI=1S/C18H20N4O5/c1-10(2)16(23)22-11-5-6-14-12(7-11)15(21-9-20-14)19-8-13(17(24)26-3)18(25)27-4/h5-10H,1-4H3,(H,22,23)(H,19,20,21)