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

Systemtic Name: 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoic acid Openeye Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetic acid CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid IUPAC Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid Formula: C21H30N4O4 MolecularWeight: 402.4873

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

Isomeric SMILES

CN(C1CCCCC1)C(=O)CCCOC2=CC3=C(C=C2)N=C(N(C3)CC(=O)O)N

InChI

InChI=1S/C21H30N4O4/c1-24(16-6-3-2-4-7-16)19(26)8-5-11-29-17-9-10-18-15(12-17)13-25(14-20(27)28)21(22)23-18/h9-10,12,16H,2-8,11,13-14H2,1H3,(H2,22,23)(H,27,28)