8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione

Systemtic Name: 8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione CAS Name: 8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)purine-2,6-dione Traditional Name: 8-(cyclohexylamino)-3-methyl-7-(3-phenoxypropyl)xanthine Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCCOC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCCOC4=CC=CC=C4

InChI

InChI=1S/C21H27N5O3/c1-25-18-17(19(27)24-21(25)28)26(13-8-14-29-16-11-6-3-7-12-16)20(23-18)22-15-9-4-2-5-10-15/h3,6-7,11-12,15H,2,4-5,8-10,13-14H2,1H3,(H,22,23)(H,24,27,28)