7-(phenylmethyl)-1,3-dipropyl-8-pyrazol-1-yl-purine-2,6-dione

Systemtic Name: 7-(phenylmethyl)-1,3-dipropyl-8-pyrazol-1-yl-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dipropyl-8-pyrazol-1-yl-purine-2,6-dione CAS Name: 7-(phenylmethyl)-1,3-dipropyl-8-(1-pyrazolyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dipropyl-8-pyrazol-1-ylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dipropyl-8-pyrazol-1-yl-xanthine Formula: C21H24N6O2 MolecularWeight: 392.45426

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)N3C=CC=N3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)N3C=CC=N3)CC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c1-3-12-24-18-17(19(28)25(13-4-2)21(24)29)26(15-16-9-6-5-7-10-16)20(23-18)27-14-8-11-22-27/h5-11,14H,3-4,12-13,15H2,1-2H3