3-[6-[(E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-enyl]-3-methyl-4-oxidanylidene-quinazolin-2-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[6-[(E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-enyl]-3-methyl-4-oxidanylidene-quinazolin-2-yl]-3-phenyl-propanoic acid Openeye Name: 3-[6-[(E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-enyl]-3-methyl-4-oxo-quinazolin-2-yl]-3-phenyl-propanoic acid CAS Name: 3-[6-[(E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-enyl]-3-methyl-4-oxo-2-quinazolinyl]-3-phenylpropanoic acid IUPAC Name: 3-[6-[(E)-3-(4,5-dihydro-1H-imidazol-2-ylamino)prop-1-enyl]-3-methyl-4-oxoquinazolin-2-yl]-3-phenylpropanoic acid Traditional Name: 3-[6-[(E)-3-(2-imidazolin-2-ylamino)prop-1-enyl]-4-keto-3-methyl-quinazolin-2-yl]-3-phenyl-propionic acid Formula: C24H25N5O3 MolecularWeight: 431.487

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=CC(=C2)C=CCNC3=NCCN3)N=C1C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(C=CC(=C2)/C=C/CNC3=NCCN3)N=C1C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C24H25N5O3/c1-29-22(18(15-21(30)31)17-7-3-2-4-8-17)28-20-10-9-16(14-19(20)23(29)32)6-5-11-25-24-26-12-13-27-24/h2-10,14,18H,11-13,15H2,1H3,(H,30,31)(H2,25,26,27)/b6-5+