7-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(4-amino-6-piperidino-s-triazin-2-yl)methyl]-1,3-dimethyl-xanthine Formula: C16H21N9O2 MolecularWeight: 371.39704

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NC(=N3)N)N4CCCCC4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NC(=NC(=N3)N)N4CCCCC4

InChI

InChI=1S/C16H21N9O2/c1-22-12-11(13(26)23(2)16(22)27)25(9-18-12)8-10-19-14(17)21-15(20-10)24-6-4-3-5-7-24/h9H,3-8H2,1-2H3,(H2,17,19,20,21)