8-[1-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-[1-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[1-[(1S)-indan-1-yl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[1-[(1S)-2,3-dihydro-1H-inden-1-yl]-4-pyrazolyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[1-[(1S)-2,3-dihydro-1H-inden-1-yl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[1-[(1S)-indan-1-yl]pyrazol-4-yl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C23H26N6O2 MolecularWeight: 418.49154

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)C4CCC5=CC=CC=C45

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN(N=C3)[C@H]4CCC5=CC=CC=C45

InChI

InChI=1S/C23H26N6O2/c1-3-11-27-21-19(22(30)28(12-4-2)23(27)31)25-20(26-21)16-13-24-29(14-16)18-10-9-15-7-5-6-8-17(15)18/h5-8,13-14,18H,3-4,9-12H2,1-2H3,(H,25,26)/t18-/m0/s1