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7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione

7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione

Systemtic Name:7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione
Openeye Name:7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione
CAS Name:7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione
IUPAC Name:7-[1-(3-propylphenyl)butyl]-3H-purine-2,6-dione
Traditional Name:7-[1-(3-propylphenyl)butyl]xanthine
Formula: C18H22N4O2
MolecularWeight: 326.39288
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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC=C1)C(CCC)N2C=NC3=C2C(=O)NC(=O)N3


Isomeric SMILES

CCCC1=CC(=CC=C1)C(CCC)N2C=NC3=C2C(=O)NC(=O)N3


InChI

InChI=1S/C18H22N4O2/c1-3-6-12-8-5-9-13(10-12)14(7-4-2)22-11-19-16-15(22)17(23)21-18(24)20-16/h5,8-11,14H,3-4,6-7H2,1-2H3,(H2,20,21,23,24)


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