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

Systemtic Name: 8-(1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(1-phenyl-4-pyrazolyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(1-phenylpyrazol-4-yl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H22N6O2 MolecularWeight: 378.42768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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