5-[2-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-3H-purin-7-yl]pentyl ethanoate

Systemtic Name: 5-[2-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-3H-purin-7-yl]pentyl ethanoate Openeye Name: 5-[2-(3-ethyl-4-methyl-anilino)-6-oxo-3H-purin-7-yl]pentyl acetate CAS Name: acetic acid 5-[2-(3-ethyl-4-methylanilino)-6-oxo-3H-purin-7-yl]pentyl ester IUPAC Name: 5-[2-(3-ethyl-4-methylanilino)-6-oxo-3H-purin-7-yl]pentyl acetate Traditional Name: acetic acid 5-[2-(3-ethyl-4-methyl-anilino)-6-keto-3H-purin-7-yl]pentyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCOC(=O)C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCCOC(=O)C)C

InChI

InChI=1S/C21H27N5O3/c1-4-16-12-17(9-8-14(16)2)23-21-24-19-18(20(28)25-21)26(13-22-19)10-6-5-7-11-29-15(3)27/h8-9,12-13H,4-7,10-11H2,1-3H3,(H2,23,24,25,28)