2-[(4-butyl-3-methyl-phenyl)amino]-3,7-dihydropurin-6-one

Systemtic Name: 2-[(4-butyl-3-methyl-phenyl)amino]-3,7-dihydropurin-6-one Openeye Name: 2-(4-butyl-3-methyl-anilino)-3,7-dihydropurin-6-one CAS Name: 2-(4-butyl-3-methylanilino)-3,7-dihydropurin-6-one IUPAC Name: 2-(4-butyl-3-methylanilino)-3,7-dihydropurin-6-one Traditional Name: 2-(4-butyl-3-methyl-anilino)-3,7-dihydropurin-6-one Formula: C16H19N5O MolecularWeight: 297.35496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)C

Isomeric SMILES

CCCCC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3)C

InChI

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