methyl 2-[3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperazin-1-yl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperazin-1-yl]phenyl]ethanoate Openeye Name: methyl 2-[3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]phenyl]acetate CAS Name: 2-[3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-1-piperazinyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]phenyl]acetate Traditional Name: 2-[3-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]piperazino]phenyl]acetic acid methyl ester Formula: C24H33N7O4 MolecularWeight: 483.56332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCN(CC3)C4=CC=CC(=C4)CC(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCN3CCN(CC3)C4=CC=CC(=C4)CC(=O)OC

InChI

InChI=1S/C24H33N7O4/c1-3-4-14-35-23-27-21(25)20-22(28-23)31(24(33)26-20)13-10-29-8-11-30(12-9-29)18-7-5-6-17(15-18)16-19(32)34-2/h5-7,15H,3-4,8-14,16H2,1-2H3,(H,26,33)(H2,25,27,28)