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

Systemtic Name: tert-butyl 2-[2-azanyl-6-[4-[cyclohexylmethyl(2-hydroxyethyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: tert-butyl 2-[2-amino-6-[4-[cyclohexylmethyl(2-hydroxyethyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[cyclohexylmethyl(2-hydroxyethyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-amino-6-[4-[cyclohexylmethyl(2-hydroxyethyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[cyclohexylmethyl(2-hydroxyethyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid tert-butyl ester Formula: C27H40N4O5 MolecularWeight: 500.6303

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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(CCO)CC3CCCCC3)N=C1N

Isomeric SMILES

CC(C)(C)OC(=O)CN1CC2=C(C=CC(=C2)C(=O)CCC(=O)N(CCO)CC3CCCCC3)N=C1N

InChI

InChI=1S/C27H40N4O5/c1-27(2,3)36-25(35)18-31-17-21-15-20(9-10-22(21)29-26(31)28)23(33)11-12-24(34)30(13-14-32)16-19-7-5-4-6-8-19/h9-10,15,19,32H,4-8,11-14,16-18H2,1-3H3,(H2,28,29)