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1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione

1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione

Systemtic Name:1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione
Openeye Name:1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione
CAS Name:1-butyl-8-[1-(1-phenylethyl)-4-pyrazolyl]-3,7-dihydropurine-2,6-dione
IUPAC Name:1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-3,7-dihydropurine-2,6-dione
Traditional Name:1-butyl-8-[1-(1-phenylethyl)pyrazol-4-yl]-7H-xanthine
Formula: C20H22N6O2
MolecularWeight: 378.42768
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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)C(C)C4=CC=CC=C4


Isomeric SMILES

CCCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)C(C)C4=CC=CC=C4


InChI

InChI=1S/C20H22N6O2/c1-3-4-10-25-19(27)16-18(24-20(25)28)23-17(22-16)15-11-21-26(12-15)13(2)14-8-6-5-7-9-14/h5-9,11-13H,3-4,10H2,1-2H3,(H,22,23)(H,24,28)


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