2-[(3-ethyl-4-methyl-phenyl)amino]-7-(2-methoxyethyl)-3H-purin-6-one

Systemtic Name: 2-[(3-ethyl-4-methyl-phenyl)amino]-7-(2-methoxyethyl)-3H-purin-6-one Openeye Name: 2-(3-ethyl-4-methyl-anilino)-7-(2-methoxyethyl)-3H-purin-6-one CAS Name: 2-(3-ethyl-4-methylanilino)-7-(2-methoxyethyl)-3H-purin-6-one IUPAC Name: 2-(3-ethyl-4-methylanilino)-7-(2-methoxyethyl)-3H-purin-6-one Traditional Name: 2-(3-ethyl-4-methyl-anilino)-7-(2-methoxyethyl)-3H-purin-6-one Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCOC)C

Isomeric SMILES

CCC1=C(C=CC(=C1)NC2=NC(=O)C3=C(N2)N=CN3CCOC)C

InChI

InChI=1S/C17H21N5O2/c1-4-12-9-13(6-5-11(12)2)19-17-20-15-14(16(23)21-17)22(10-18-15)7-8-24-3/h5-6,9-10H,4,7-8H2,1-3H3,(H2,19,20,21,23)