1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)-7-propan-2-yl-purine-2,6-dione Openeye Name: 7-isopropyl-1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(4-nitroso-1-piperazinyl)-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(4-nitrosopiperazin-1-yl)-7-propan-2-ylpurine-2,6-dione Traditional Name: 7-isopropyl-1,3-dimethyl-8-(4-nitrosopiperazino)xanthine Formula: C14H21N7O3 MolecularWeight: 335.36164

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(N=C1N3CCN(CC3)N=O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CC(C)N1C2=C(N=C1N3CCN(CC3)N=O)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C14H21N7O3/c1-9(2)21-10-11(17(3)14(23)18(4)12(10)22)15-13(21)19-5-7-20(16-24)8-6-19/h9H,5-8H2,1-4H3