methyl 4-[[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]methyl]benzoate

Systemtic Name: methyl 4-[[1-[4-(6-azanyl-2-butoxy-8-oxidanylidene-7H-purin-9-yl)butyl]piperidin-4-yl]methyl]benzoate Openeye Name: methyl 4-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidyl]methyl]benzoate CAS Name: 4-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]-4-piperidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[4-(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)butyl]piperidin-4-yl]methyl]benzoate Traditional Name: 4-[[1-[4-(6-amino-2-butoxy-8-keto-7H-purin-9-yl)butyl]-4-piperidyl]methyl]benzoic acid methyl ester Formula: C27H38N6O4 MolecularWeight: 510.62842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)CC4=CC=C(C=C4)C(=O)OC

Isomeric SMILES

CCCCOC1=NC2=C(C(=N1)N)NC(=O)N2CCCCN3CCC(CC3)CC4=CC=C(C=C4)C(=O)OC

InChI

InChI=1S/C27H38N6O4/c1-3-4-17-37-26-30-23(28)22-24(31-26)33(27(35)29-22)14-6-5-13-32-15-11-20(12-16-32)18-19-7-9-21(10-8-19)25(34)36-2/h7-10,20H,3-6,11-18H2,1-2H3,(H,29,35)(H2,28,30,31)