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

Systemtic Name: 8-[1-[3-(3-tert-butylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[3-(3-tert-butylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[3-(3-tert-butylphenyl)prop-2-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[3-(3-tert-butylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[3-(3-tert-butylphenyl)prop-2-ynyl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C27H32N6O2 MolecularWeight: 472.58198

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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)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H32N6O2/c1-6-13-32-24-22(25(34)33(14-7-2)26(32)35)29-23(30-24)20-17-28-31(18-20)15-9-11-19-10-8-12-21(16-19)27(3,4)5/h8,10,12,16-18H,6-7,13-15H2,1-5H3,(H,29,30)