8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-1,3-dimethyl-7-(3-phenylpropyl)xanthine Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NC3CCCCC3)CCCC4=CC=CC=C4

InChI

InChI=1S/C22H29N5O2/c1-25-19-18(20(28)26(2)22(25)29)27(15-9-12-16-10-5-3-6-11-16)21(24-19)23-17-13-7-4-8-14-17/h3,5-6,10-11,17H,4,7-9,12-15H2,1-2H3,(H,23,24)