[2-[[2,6-bis(azanyl)purin-9-yl]methyl]cyclohexyl]methyl benzoate

Systemtic Name: [2-[[2,6-bis(azanyl)purin-9-yl]methyl]cyclohexyl]methyl benzoate Openeye Name: [2-[(2,6-diaminopurin-9-yl)methyl]cyclohexyl]methyl benzoate CAS Name: benzoic acid [2-[(2,6-diamino-9-purinyl)methyl]cyclohexyl]methyl ester IUPAC Name: [2-[(2,6-diaminopurin-9-yl)methyl]cyclohexyl]methyl benzoate Traditional Name: benzoic acid [2-[(2,6-diaminopurin-9-yl)methyl]cyclohexyl]methyl ester Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CN2C=NC3=C2N=C(N=C3N)N)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCC(C(C1)CN2C=NC3=C2N=C(N=C3N)N)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H24N6O2/c21-17-16-18(25-20(22)24-17)26(12-23-16)10-14-8-4-5-9-15(14)11-28-19(27)13-6-2-1-3-7-13/h1-3,6-7,12,14-15H,4-5,8-11H2,(H4,21,22,24,25)