8-[2-azanyl-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-[2-azanyl-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-[2-amino-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-[2-amino-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-[2-amino-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-[2-amino-3-(4-chlorophenyl)propoxy]-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C28H30ClN5O4 MolecularWeight: 536.0219

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1C2=C(N=C1OCC(CC3=CC=C(C=C3)Cl)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC(=CCN1C2=C(N=C1OCC(CC3=CC=C(C=C3)Cl)N)N(C(=O)N(C2=O)CC(=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C28H30ClN5O4/c1-18(2)13-14-33-24-25(31-27(33)38-17-22(30)15-19-9-11-21(29)12-10-19)32(3)28(37)34(26(24)36)16-23(35)20-7-5-4-6-8-20/h4-13,22H,14-17,30H2,1-3H3