2-[(3-ethyl-4-methyl-phenyl)amino]-9-(4-oxidanylbutyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-9-(4-oxidanylbutyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-9-(4-hydroxybutyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-9-(4-hydroxybutyl)-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-9-(4-hydroxybutyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-9-(4-hydroxybutyl)-3H-purin-6-one Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCCO)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N(C=N3)CCCCO)C

InChI

InChI=1S/C18H23N5O2/c1-3-13-10-14(7-6-12(13)2)20-18-21-16-15(17(25)22-18)19-11-23(16)8-4-5-9-24/h6-7,10-11,24H,3-5,8-9H2,1-2H3,(H2,20,21,22,25)