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

Systemtic Name: 4-[2-[(3-ethyl-4-methyl-phenyl)amino]-6-oxidanylidene-3H-purin-7-yl]butyl ethanoate Openeye Name: 4-[2-(3-ethyl-4-methyl-anilino)-6-oxo-3H-purin-7-yl]butyl acetate CAS Name: acetic acid 4-[2-(3-ethyl-4-methylanilino)-6-oxo-3H-purin-7-yl]butyl ester IUPAC Name: 4-[2-(3-ethyl-4-methylanilino)-6-oxo-3H-purin-7-yl]butyl acetate Traditional Name: acetic acid 4-[2-(3-ethyl-4-methyl-anilino)-6-keto-3H-purin-7-yl]butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC(=O)C)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC(=O)C)C

InChI

InChI=1S/C20H25N5O3/c1-4-15-11-16(8-7-13(15)2)22-20-23-18-17(19(27)24-20)25(12-21-18)9-5-6-10-28-14(3)26/h7-8,11-12H,4-6,9-10H2,1-3H3,(H2,22,23,24,27)