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

Systemtic Name: 2-[(4-pentylphenyl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-(4-pentylanilino)-3,7-dihydropurin-6-one CAS Name: 2-(4-pentylanilino)-3,7-dihydropurin-6-one IUPAC Name: 2-(4-pentylanilino)-3,7-dihydropurin-6-one Traditional Name: 2-(4-amylanilino)-3,7-dihydropurin-6-one Formula: C16H19N5O MolecularWeight: 297.35496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3

Isomeric SMILES

CCCCCC1=CC=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3

InChI

InChI=1S/C16H19N5O/c1-2-3-4-5-11-6-8-12(9-7-11)19-16-20-14-13(15(22)21-16)17-10-18-14/h6-10H,2-5H2,1H3,(H3,17,18,19,20,21,22)