8-(2-azanyl-3-phenyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-3-phenyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione Openeye Name: 8-(2-amino-3-phenyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-purine-2,6-dione CAS Name: 8-(2-amino-3-phenylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione IUPAC Name: 8-(2-amino-3-phenylpropoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacylpurine-2,6-dione Traditional Name: 8-(2-amino-3-phenyl-propoxy)-3-methyl-7-(3-methylbut-2-enyl)-1-phenacyl-xanthine Formula: C28H31N5O4 MolecularWeight: 501.57684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O4/c1-19(2)14-15-32-24-25(30-27(32)37-18-22(29)16-20-10-6-4-7-11-20)31(3)28(36)33(26(24)35)17-23(34)21-12-8-5-9-13-21/h4-14,22H,15-18,29H2,1-3H3