2-methylpropyl 2-[2-azanyl-5-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[2-azanyl-5-[4-[cyclohexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: isobutyl 2-[2-amino-5-[4-[cyclohexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-5-[4-[cyclohexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-amino-5-[4-[cyclohexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-5-[4-[cyclohexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid isobutyl ester Formula: C25H36N4O4 MolecularWeight: 456.57774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)CN1CC2=C(C=CC=C2N=C1N)C(=O)CCC(=O)N(C)C3CCCCC3

Isomeric SMILES

CC(C)COC(=O)CN1CC2=C(C=CC=C2N=C1N)C(=O)CCC(=O)N(C)C3CCCCC3

InChI

InChI=1S/C25H36N4O4/c1-17(2)16-33-24(32)15-29-14-20-19(10-7-11-21(20)27-25(29)26)22(30)12-13-23(31)28(3)18-8-5-4-6-9-18/h7,10-11,17-18H,4-6,8-9,12-16H2,1-3H3,(H2,26,27)