1,3-dipropyl-8-(1-pyridin-3-ylcarbonylpyrazol-4-yl)-7H-purine-2,6-dione

Systemtic Name: 1,3-dipropyl-8-(1-pyridin-3-ylcarbonylpyrazol-4-yl)-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[1-(pyridine-3-carbonyl)pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 8-[1-[oxo(3-pyridinyl)methyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[1-(pyridine-3-carbonyl)pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 8-(1-nicotinoylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H21N7O3 MolecularWeight: 407.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N7O3/c1-3-8-25-17-15(19(29)26(9-4-2)20(25)30)23-16(24-17)14-11-22-27(12-14)18(28)13-6-5-7-21-10-13/h5-7,10-12H,3-4,8-9H2,1-2H3,(H,23,24)