8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethylpurine-2,6-dione Traditional Name: 7-benzyl-8-(cyclohexylamino)-3-(2-dimethylaminoethyl)-1-ethyl-xanthine Formula: C24H34N6O2 MolecularWeight: 438.56576

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CCN(C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3)NC4CCCCC4)N(C1=O)CCN(C)C

InChI

InChI=1S/C24H34N6O2/c1-4-28-22(31)20-21(29(24(28)32)16-15-27(2)3)26-23(25-19-13-9-6-10-14-19)30(20)17-18-11-7-5-8-12-18/h5,7-8,11-12,19H,4,6,9-10,13-17H2,1-3H3,(H,25,26)