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2-[methyl(phenyl)amino]-9-(4-oxidanylbutyl)-3H-purin-6-one

2-[methyl(phenyl)amino]-9-(4-oxidanylbutyl)-3H-purin-6-one

Systemtic Name:2-[methyl(phenyl)amino]-9-(4-oxidanylbutyl)-3H-purin-6-one
Openeye Name:9-(4-hydroxybutyl)-2-(N-methylanilino)-3H-purin-6-one
CAS Name:9-(4-hydroxybutyl)-2-(N-methylanilino)-3H-purin-6-one
IUPAC Name:9-(4-hydroxybutyl)-2-(N-methylanilino)-3H-purin-6-one
Traditional Name:9-(4-hydroxybutyl)-2-(N-methylanilino)-3H-purin-6-one
Formula: C16H19N5O2
MolecularWeight: 313.35436
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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=O)C3=C(N2)N(C=N3)CCCCO


Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=O)C3=C(N2)N(C=N3)CCCCO


InChI

InChI=1S/C16H19N5O2/c1-20(12-7-3-2-4-8-12)16-18-14-13(15(23)19-16)17-11-21(14)9-5-6-10-22/h2-4,7-8,11,22H,5-6,9-10H2,1H3,(H,18,19,23)


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