tert-butyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: tert-butyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butoxy]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CC2=C(C=CC(=C2)OCCCC(=O)N(C)C3CCCCC3)N=C1N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(C=CC(=C2)OCCCC(=O)N(C)C3CCCCC3)N=C1N

InChI

InChI=1S/C25H38N4O4/c1-25(2,3)33-23(31)17-29-16-18-15-20(12-13-21(18)27-24(29)26)32-14-8-11-22(30)28(4)19-9-6-5-7-10-19/h12-13,15,19H,5-11,14,16-17H2,1-4H3,(H2,26,27)