8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(4-methoxy-1-naphthyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(4-methoxy-1-naphthalenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(4-methoxynaphthalen-1-yl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(4-methoxy-1-naphthyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C25H28N4O3 MolecularWeight: 432.51482

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC=C(C4=CC=CC=C34)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC=C(C4=CC=CC=C34)OC)C

InChI

InChI=1S/C25H28N4O3/c1-5-15-28-23-22(24(30)29(16-6-2)25(28)31)27(3)21(26-23)14-12-17-11-13-20(32-4)19-10-8-7-9-18(17)19/h7-14H,5-6,15-16H2,1-4H3/b14-12+