1,3-dipropyl-8-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[1-(4-pyridylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 1,3-dipropyl-8-[1-(pyridin-4-ylmethyl)-4-pyrazolyl]-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[1-(4-pyridylmethyl)pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C20H23N7O2 MolecularWeight: 393.44232

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=NC=C4

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC4=CC=NC=C4

InChI

InChI=1S/C20H23N7O2/c1-3-9-26-18-16(19(28)27(10-4-2)20(26)29)23-17(24-18)15-11-22-25(13-15)12-14-5-7-21-8-6-14/h5-8,11,13H,3-4,9-10,12H2,1-2H3,(H,23,24)