2-methylpropyl 2-[2-azanyl-6-[4-[hexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: 2-methylpropyl 2-[2-azanyl-6-[4-[hexyl(methyl)amino]-4-oxidanylidene-butanoyl]-4H-quinazolin-3-yl]ethanoate Openeye Name: isobutyl 2-[2-amino-6-[4-[hexyl(methyl)amino]-4-oxo-butanoyl]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-6-[4-[hexyl(methyl)amino]-1,4-dioxobutyl]-4H-quinazolin-3-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[2-amino-6-[4-[hexyl(methyl)amino]-4-oxobutanoyl]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-6-[4-[hexyl(methyl)amino]-4-keto-butanoyl]-4H-quinazolin-3-yl]acetic acid isobutyl ester Formula: C25H38N4O4 MolecularWeight: 458.59362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)C(=O)CCC(=O)C1=CC2=C(C=C1)N=C(N(C2)CC(=O)OCC(C)C)N

Isomeric SMILES

CCCCCCN(C)C(=O)CCC(=O)C1=CC2=C(C=C1)N=C(N(C2)CC(=O)OCC(C)C)N

InChI

InChI=1S/C25H38N4O4/c1-5-6-7-8-13-28(4)23(31)12-11-22(30)19-9-10-21-20(14-19)15-29(25(26)27-21)16-24(32)33-17-18(2)3/h9-10,14,18H,5-8,11-13,15-17H2,1-4H3,(H2,26,27)