2,2-dimethylpropyl 2-[2-azanyl-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-azanyl-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-amino-7-[4-amino-3-(1-methylpiperazin-1-ium-1-yl)-4-oxo-butoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-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-amino-7-[4-amino-3-(1-methylpiperazin-1-ium-1-yl)-4-oxobutoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[4-amino-4-keto-3-(1-methylpiperazin-1-ium-1-yl)butoxy]-4H-quinazolin-3-yl]acetic acid neopentyl ester Formula: C24H39N6O4+ MolecularWeight: 475.60426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)CN1CC2=C(C=C(C=C2)OCCC(C(=O)N)[N+]3(CCNCC3)C)N=C1N

Isomeric SMILES

CC(C)(C)COC(=O)CN1CC2=C(C=C(C=C2)OCCC(C(=O)N)[N+]3(CCNCC3)C)N=C1N

InChI

InChI=1S/C24H38N6O4/c1-24(2,3)16-34-21(31)15-29-14-17-5-6-18(13-19(17)28-23(29)26)33-12-7-20(22(25)32)30(4)10-8-27-9-11-30/h5-6,13,20,27H,7-12,14-16H2,1-4H3,(H3-,25,26,28,32)/p+1