2,2-dimethylpropyl 2-[2-acetamido-7-[4-azanyl-3-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: 2,2-dimethylpropyl 2-[2-acetamido-7-[4-azanyl-3-(1-methylpiperazin-1-ium-1-yl)-4-oxidanylidene-butoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: 2,2-dimethylpropyl 2-[2-acetamido-7-[4-amino-3-(1-methylpiperazin-1-ium-1-yl)-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-acetamido-7-[4-amino-3-(1-methyl-1-piperazin-1-iumyl)-4-oxobutoxy]-4H-quinazolin-3-yl]acetic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-[2-acetamido-7-[4-amino-3-(1-methylpiperazin-1-ium-1-yl)-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-acetamido-7-[4-amino-4-keto-3-(1-methylpiperazin-1-ium-1-yl)butoxy]-4H-quinazolin-3-yl]acetic acid neopentyl ester Formula: C26H41N6O5+ MolecularWeight: 517.64094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(CN1CC(=O)OCC(C)(C)C)C=CC(=C2)OCCC(C(=O)N)[N+]3(CCNCC3)C

Isomeric SMILES

CC(=O)NC1=NC2=C(CN1CC(=O)OCC(C)(C)C)C=CC(=C2)OCCC(C(=O)N)[N+]3(CCNCC3)C

InChI

InChI=1S/C26H40N6O5/c1-18(33)29-25-30-21-14-20(36-13-8-22(24(27)35)32(5)11-9-28-10-12-32)7-6-19(21)15-31(25)16-23(34)37-17-26(2,3)4/h6-7,14,22,28H,8-13,15-17H2,1-5H3,(H2-,27,29,30,33,35)/p+1