2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid

Systemtic Name: 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Openeye Name: 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylene]propanedioic acid CAS Name: 2-[[[6-[(3,3-dimethyl-1-oxobutyl)amino]-4-quinazolinyl]amino]methylidene]propanedioic acid IUPAC Name: 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylidene]propanedioic acid Traditional Name: 2-[[[6-(3,3-dimethylbutanoylamino)quinazolin-4-yl]amino]methylene]malonic acid Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O5/c1-18(2,3)7-14(23)22-10-4-5-13-11(6-10)15(21-9-20-13)19-8-12(16(24)25)17(26)27/h4-6,8-9H,7H2,1-3H3,(H,22,23)(H,24,25)(H,26,27)(H,19,20,21)