2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoic acid

Systemtic Name: 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetic acid CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid IUPAC Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetic acid Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCC(=O)C2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

InChI

InChI=1S/C21H28N4O4/c1-24(16-5-3-2-4-6-16)19(27)10-9-18(26)14-7-8-17-15(11-14)12-25(13-20(28)29)21(22)23-17/h7-8,11,16H,2-6,9-10,12-13H2,1H3,(H2,22,23)(H,28,29)