3-[4-methyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinazolin-1-yl]propanoic acid

Systemtic Name: 3-[4-methyl-6-(4-methylpiperazin-1-yl)-2-oxidanylidene-quinazolin-1-yl]propanoic acid Openeye Name: 3-[4-methyl-6-(4-methylpiperazin-1-yl)-2-oxo-quinazolin-1-yl]propanoic acid CAS Name: 3-[4-methyl-6-(4-methyl-1-piperazinyl)-2-oxo-1-quinazolinyl]propanoic acid IUPAC Name: 3-[4-methyl-6-(4-methylpiperazin-1-yl)-2-oxoquinazolin-1-yl]propanoic acid Traditional Name: 3-[2-keto-4-methyl-6-(4-methylpiperazino)quinazolin-1-yl]propionic acid Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C)CCC(=O)O

Isomeric SMILES

CC1=NC(=O)N(C2=C1C=C(C=C2)N3CCN(CC3)C)CCC(=O)O

InChI

InChI=1S/C17H22N4O3/c1-12-14-11-13(20-9-7-19(2)8-10-20)3-4-15(14)21(17(24)18-12)6-5-16(22)23/h3-4,11H,5-10H2,1-2H3,(H,22,23)