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

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

Systemtic Name:2-[(3-chloranyl-4-methyl-phenyl)amino]-7-(4-methoxybutyl)-3H-purin-6-one
Openeye Name:2-(3-chloro-4-methyl-anilino)-7-(4-methoxybutyl)-3H-purin-6-one
CAS Name:2-(3-chloro-4-methylanilino)-7-(4-methoxybutyl)-3H-purin-6-one
IUPAC Name:2-(3-chloro-4-methylanilino)-7-(4-methoxybutyl)-3H-purin-6-one
Traditional Name:2-(3-chloro-4-methyl-anilino)-7-(4-methoxybutyl)-3H-purin-6-one
Formula: C17H20ClN5O2
MolecularWeight: 361.826
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC)Cl


Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=O)C3=C(N2)N=CN3CCCCOC)Cl


InChI

InChI=1S/C17H20ClN5O2/c1-11-5-6-12(9-13(11)18)20-17-21-15-14(16(24)22-17)23(10-19-15)7-3-4-8-25-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H2,20,21,22,24)


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