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

Systemtic Name: methyl 2-[4-[2-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)ethyl]piperazin-1-yl]pyridine-4-carboxylate Openeye Name: methyl 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]pyridine-4-carboxylate CAS Name: 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]-1-piperazinyl]-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-[2-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)ethyl]piperazin-1-yl]pyridine-4-carboxylate Traditional Name: 2-[4-[2-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)ethyl]piperazino]isonicotinic acid methyl ester Formula: C22H30N8O4 MolecularWeight: 470.5248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N8O4/c1-3-4-13-34-21-26-18(23)17-19(27-21)30(22(32)25-17)12-9-28-7-10-29(11-8-28)16-14-15(5-6-24-16)20(31)33-2/h5-6,14H,3-4,7-13H2,1-2H3,(H,25,32)(H2,23,26,27)