8-[hydroxymethyl(propyl)amino]-1,3,7-trimethyl-purine-2,6-dione

Systemtic Name: 8-[hydroxymethyl(propyl)amino]-1,3,7-trimethyl-purine-2,6-dione Openeye Name: 8-[hydroxymethyl(propyl)amino]-1,3,7-trimethyl-purine-2,6-dione CAS Name: 8-[hydroxymethyl(propyl)amino]-1,3,7-trimethylpurine-2,6-dione IUPAC Name: 8-[hydroxymethyl(propyl)amino]-1,3,7-trimethylpurine-2,6-dione Traditional Name: 1,3,7-trimethyl-8-[methylol(propyl)amino]xanthine Formula: C12H19N5O3 MolecularWeight: 281.31096

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CO)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCN(CO)C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C12H19N5O3/c1-5-6-17(7-18)11-13-9-8(14(11)2)10(19)16(4)12(20)15(9)3/h18H,5-7H2,1-4H3