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

Systemtic Name: 8-(cyclohexylamino)-3-methyl-7-phenacyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-3-methyl-7-phenacyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-3-methyl-7-phenacylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-3-methyl-7-phenacylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-3-methyl-7-phenacyl-xanthine Formula: C20H23N5O3 MolecularWeight: 381.42832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-24-17-16(18(27)23-20(24)28)25(12-15(26)13-8-4-2-5-9-13)19(22-17)21-14-10-6-3-7-11-14/h2,4-5,8-9,14H,3,6-7,10-12H2,1H3,(H,21,22)(H,23,27,28)