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

Systemtic Name: 1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione Openeye Name: 7-[2-(1,5-dimethylhexylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(6-methylheptan-2-ylamino)ethyl]purine-2,6-dione Traditional Name: 7-[2-(1,5-dimethylhexylamino)ethyl]-1,3-dimethyl-xanthine Formula: C17H29N5O2 MolecularWeight: 335.44446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N5O2/c1-12(2)7-6-8-13(3)18-9-10-22-11-19-15-14(22)16(23)21(5)17(24)20(15)4/h11-13,18H,6-10H2,1-5H3