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

Systemtic Name: tert-butyl 2-[2-azanyl-6-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N4O4/c1-25(2,3)33-23(32)16-29-15-18-14-17(10-11-20(18)27-24(29)26)21(30)12-13-22(31)28(4)19-8-6-5-7-9-19/h10-11,14,19H,5-9,12-13,15-16H2,1-4H3,(H2,26,27)