1,3-dimethyl-7-[2-(pentan-3-ylamino)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(pentan-3-ylamino)ethyl]purine-2,6-dione Openeye Name: 7-[2-(1-ethylpropylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(pentan-3-ylamino)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(pentan-3-ylamino)ethyl]purine-2,6-dione Traditional Name: 7-[2-(1-ethylpropylamino)ethyl]-1,3-dimethyl-xanthine Formula: C14H23N5O2 MolecularWeight: 293.36472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCC(CC)NCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H23N5O2/c1-5-10(6-2)15-7-8-19-9-16-12-11(19)13(20)18(4)14(21)17(12)3/h9-10,15H,5-8H2,1-4H3