9-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-8-nitro-purine-2,6-dione

Systemtic Name: 9-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxidanylidene-propan-2-yl]-1,3-dimethyl-8-nitro-purine-2,6-dione Openeye Name: 9-[(1R)-2-indan-5-yl-1-methyl-2-oxo-ethyl]-1,3-dimethyl-8-nitro-purine-2,6-dione CAS Name: 9-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione IUPAC Name: 9-[(2R)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl]-1,3-dimethyl-8-nitropurine-2,6-dione Traditional Name: 9-[(1R)-2-indan-5-yl-2-keto-1-methyl-ethyl]-1,3-dimethyl-8-nitro-xanthine Formula: C19H19N5O5 MolecularWeight: 397.38466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(CCC2)C=C1)N3C4=C(C(=O)N(C(=O)N4C)C)N=C3[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)C1=CC2=C(CCC2)C=C1)N3C4=C(C(=O)N(C(=O)N4C)C)N=C3[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5/c1-10(15(25)13-8-7-11-5-4-6-12(11)9-13)23-16-14(20-18(23)24(28)29)17(26)22(3)19(27)21(16)2/h7-10H,4-6H2,1-3H3/t10-/m1/s1