8-azanyl-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)purine-2,6-dione

Systemtic Name: 8-azanyl-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)purine-2,6-dione Openeye Name: 8-amino-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)purine-2,6-dione CAS Name: 8-amino-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)purine-2,6-dione IUPAC Name: 8-amino-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)purine-2,6-dione Traditional Name: 8-amino-1,3-dimethyl-7-(3,4,5,6-tetrahydro-2H-azepin-7-yl)xanthine Formula: C13H18N6O2 MolecularWeight: 290.32102

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C3=NCCCCC3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N)C3=NCCCCC3

InChI

InChI=1S/C13H18N6O2/c1-17-10-9(11(20)18(2)13(17)21)19(12(14)16-10)8-6-4-3-5-7-15-8/h3-7H2,1-2H3,(H2,14,16)