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

Systemtic Name: 1,3-dipropyl-8-[1-[3-(3-pyrrolidin-1-ylcarbonylphenyl)prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione Openeye Name: 1,3-dipropyl-8-[1-[3-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione CAS Name: 8-[1-[3-[3-[oxo(1-pyrrolidinyl)methyl]phenyl]prop-2-ynyl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 1,3-dipropyl-8-[1-[3-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-dione Traditional Name: 1,3-dipropyl-8-[1-[3-[3-(pyrrolidine-1-carbonyl)phenyl]prop-2-ynyl]pyrazol-4-yl]-7H-purine-2,6-quinone Formula: C28H31N7O3 MolecularWeight: 513.59084

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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(=O)N5CCCC5

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)CC#CC4=CC(=CC=C4)C(=O)N5CCCC5

InChI

InChI=1S/C28H31N7O3/c1-3-12-34-25-23(27(37)35(13-4-2)28(34)38)30-24(31-25)22-18-29-33(19-22)16-8-10-20-9-7-11-21(17-20)26(36)32-14-5-6-15-32/h7,9,11,17-19H,3-6,12-16H2,1-2H3,(H,30,31)