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7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione

7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione

Systemtic Name:7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione
Openeye Name:7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methyl-purine-2,6-dione
CAS Name:7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione
IUPAC Name:7-hexyl-8-[(4-methoxyphenyl)methylamino]-3-methylpurine-2,6-dione
Traditional Name:7-hexyl-3-methyl-8-(p-anisylamino)xanthine
Formula: C20H27N5O3
MolecularWeight: 385.46008
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)OC)N(C(=O)NC2=O)C


InChI

InChI=1S/C20H27N5O3/c1-4-5-6-7-12-25-16-17(24(2)20(27)23-18(16)26)22-19(25)21-13-14-8-10-15(28-3)11-9-14/h8-11H,4-7,12-13H2,1-3H3,(H,21,22)(H,23,26,27)


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