1,3-dimethyl-7-[4-[(1-methylpyrrolidin-2-ylidene)amino]-3-oxidanyl-butyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[4-[(1-methylpyrrolidin-2-ylidene)amino]-3-oxidanyl-butyl]purine-2,6-dione Openeye Name: 7-[3-hydroxy-4-[(1-methylpyrrolidin-2-ylidene)amino]butyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-hydroxy-4-[(1-methyl-2-pyrrolidinylidene)amino]butyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-hydroxy-4-[(1-methylpyrrolidin-2-ylidene)amino]butyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-hydroxy-4-[(1-methylpyrrolidin-2-ylidene)amino]butyl]-1,3-dimethyl-xanthine Formula: C16H24N6O3 MolecularWeight: 348.40016

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC1=NCC(CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

Isomeric SMILES

CN1CCCC1=NCC(CCN2C=NC3=C2C(=O)N(C(=O)N3C)C)O

InChI

InChI=1S/C16H24N6O3/c1-19-7-4-5-12(19)17-9-11(23)6-8-22-10-18-14-13(22)15(24)21(3)16(25)20(14)2/h10-11,23H,4-9H2,1-3H3