7-decyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione

Systemtic Name: 7-decyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-decyl-3-methyl-purine-2,6-dione CAS Name: 7-decyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-decyl-3-methyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-decyl-3-methyl-xanthine Formula: C19H31N5O2 MolecularWeight: 361.48174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NCC=C)N(C(=O)NC2=O)C

InChI

InChI=1S/C19H31N5O2/c1-4-6-7-8-9-10-11-12-14-24-15-16(21-18(24)20-13-5-2)23(3)19(26)22-17(15)25/h5H,2,4,6-14H2,1,3H3,(H,20,21)(H,22,25,26)