methyl 6-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylate

Systemtic Name: methyl 6-[(4-oxidanylcyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylate Openeye Name: methyl 6-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylate CAS Name: 6-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylic acid methyl ester IUPAC Name: methyl 6-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylate Traditional Name: 6-[(4-hydroxycyclohexyl)amino]-2-phenyl-7H-purine-8-carboxylic acid methyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)NC4CCC(CC4)O

Isomeric SMILES

COC(=O)C1=NC2=C(N1)C(=NC(=N2)C3=CC=CC=C3)NC4CCC(CC4)O

InChI

InChI=1S/C19H21N5O3/c1-27-19(26)18-21-14-16(20-12-7-9-13(25)10-8-12)22-15(23-17(14)24-18)11-5-3-2-4-6-11/h2-6,12-13,25H,7-10H2,1H3,(H2,20,21,22,23,24)