3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one

Systemtic Name: 3-(2-chloranyl-4-propan-2-yl-phenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one Openeye Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one CAS Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one IUPAC Name: 3-(2-chloro-4-propan-2-ylphenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one Traditional Name: 3-(2-chloro-4-isopropyl-phenyl)-8-ethyl-1-methyl-2,7-dihydropurin-6-one Formula: C17H21ClN4O MolecularWeight: 332.82784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N(CN2C3=C(C=C(C=C3)C(C)C)Cl)C

InChI

InChI=1S/C17H21ClN4O/c1-5-14-19-15-16(20-14)22(9-21(4)17(15)23)13-7-6-11(10(2)3)8-12(13)18/h6-8,10H,5,9H2,1-4H3,(H,19,20)