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

Systemtic Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Openeye Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione CAS Name: 8-[1-(1-phenylethyl)-4-pyrazolyl]-1-propyl-3,7-dihydropurine-2,6-dione IUPAC Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1-propyl-3,7-dihydropurine-2,6-dione Traditional Name: 8-[1-(1-phenylethyl)pyrazol-4-yl]-1-propyl-7H-xanthine Formula: C19H20N6O2 MolecularWeight: 364.4011

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)C(C)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CN(N=C3)C(C)C4=CC=CC=C4

InChI

InChI=1S/C19H20N6O2/c1-3-9-24-18(26)15-17(23-19(24)27)22-16(21-15)14-10-20-25(11-14)12(2)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3,(H,21,22)(H,23,27)