8-[1-[3-(3-chlorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[3-(3-chlorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[3-(3-chlorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[3-(3-chlorophenyl)prop-2-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[3-(3-chlorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[3-(3-chlorophenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H23ClN6O2 MolecularWeight: 450.92072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN6O2/c1-3-10-29-21-19(22(31)30(11-4-2)23(29)32)26-20(27-21)17-14-25-28(15-17)12-6-8-16-7-5-9-18(24)13-16/h5,7,9,13-15H,3-4,10-12H2,1-2H3,(H,26,27)