3,7-dimethyl-1-[(E)-octadec-9-enyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[(E)-octadec-9-enyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[(E)-octadec-9-enyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[(E)-octadec-9-enyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[(E)-octadec-9-enyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[(E)-octadec-9-enyl]xanthine Formula: C25H42N4O2 MolecularWeight: 430.62658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C25H42N4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-29-24(30)22-23(26-21-27(22)2)28(3)25(29)31/h11-12,21H,4-10,13-20H2,1-3H3/b12-11+