9-(2-methoxyphenyl)-2-[(4-oxidanylcyclohexyl)amino]-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(2-methoxyphenyl)-2-[(4-oxidanylcyclohexyl)amino]-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 2-[(4-hydroxycyclohexyl)amino]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 2-[(4-hydroxycyclohexyl)amino]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 2-[(4-hydroxycyclohexyl)amino]-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 2-[(4-hydroxycyclohexyl)amino]-8-keto-9-(2-methoxyphenyl)-7H-purine-6-carboxamide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)NC4CCC(CC4)O

Isomeric SMILES

COC1=CC=CC=C1N2C3=NC(=NC(=C3NC2=O)C(=O)N)NC4CCC(CC4)O

InChI

InChI=1S/C19H22N6O4/c1-29-13-5-3-2-4-12(13)25-17-15(23-19(25)28)14(16(20)27)22-18(24-17)21-10-6-8-11(26)9-7-10/h2-5,10-11,26H,6-9H2,1H3,(H2,20,27)(H,23,28)(H,21,22,24)