1,3-dimethyl-7-[3-[(1-methylpyrrolidin-2-ylidene)amino]-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[3-[(1-methylpyrrolidin-2-ylidene)amino]-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-[(1-methylpyrrolidin-2-ylidene)amino]propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-[(1-methyl-2-pyrrolidinylidene)amino]propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-[(1-methylpyrrolidin-2-ylidene)amino]propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-[(1-methylpyrrolidin-2-ylidene)amino]propyl]-1,3-dimethyl-xanthine Formula: C15H22N6O3 MolecularWeight: 334.37358

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CN1CCCC1=NCC(CN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C15H22N6O3/c1-18-6-4-5-11(18)16-7-10(22)8-21-9-17-13-12(21)14(23)20(3)15(24)19(13)2/h9-10,22H,4-8H2,1-3H3