2-[(3,4-dimethylphenyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one

Systemtic Name: 2-[(3,4-dimethylphenyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one Openeye Name: 2-(3,4-dimethylanilino)-7-(4-methoxybutyl)-3H-purin-6-one CAS Name: 2-(3,4-dimethylanilino)-7-(4-methoxybutyl)-3H-purin-6-one IUPAC Name: 2-(3,4-dimethylanilino)-7-(4-methoxybutyl)-3H-purin-6-one Traditional Name: 2-(3,4-dimethylanilino)-7-(4-methoxybutyl)-3H-purin-6-one Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC)C

InChI

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