8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione

Systemtic Name: 8-[(4-azanyl-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione Openeye Name: 8-[[4-amino-6-(1-piperidyl)-1,3,5-triazin-2-yl]methylsulfanyl]-1,3-dimethyl-7-propyl-purine-2,6-dione CAS Name: 8-[[4-amino-6-(1-piperidinyl)-1,3,5-triazin-2-yl]methylthio]-1,3-dimethyl-7-propylpurine-2,6-dione IUPAC Name: 8-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)methylsulfanyl]-1,3-dimethyl-7-propylpurine-2,6-dione Traditional Name: 8-[(4-amino-6-piperidino-s-triazin-2-yl)methylthio]-1,3-dimethyl-7-propyl-xanthine Formula: C19H27N9O2S MolecularWeight: 445.54178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C19H27N9O2S/c1-4-8-28-13-14(25(2)19(30)26(3)15(13)29)23-18(28)31-11-12-21-16(20)24-17(22-12)27-9-6-5-7-10-27/h4-11H2,1-3H3,(H2,20,21,22,24)