2-[(4-ethylphenyl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(4-ethylphenyl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-(4-ethylanilino)-3,7-dihydropurin-6-one CAS Name: 2-(4-ethylanilino)-3,7-dihydropurin-6-one IUPAC Name: 2-(4-ethylanilino)-3,7-dihydropurin-6-one Traditional Name: 2-(4-ethylanilino)-3,7-dihydropurin-6-one Formula: C13H13N5O MolecularWeight: 255.27522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C13H13N5O/c1-2-8-3-5-9(6-4-8)16-13-17-11-10(12(19)18-13)14-7-15-11/h3-7H,2H2,1H3,(H3,14,15,16,17,18,19)