3-methyl-8-piperazin-1-yl-1,7-bis(prop-2-enyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-piperazin-1-yl-1,7-bis(prop-2-enyl)purine-2,6-dione Openeye Name: 1,7-diallyl-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 3-methyl-8-(1-piperazinyl)-1,7-bis(prop-2-enyl)purine-2,6-dione IUPAC Name: 3-methyl-8-piperazin-1-yl-1,7-bis(prop-2-enyl)purine-2,6-dione Traditional Name: 1,7-diallyl-3-methyl-8-piperazino-xanthine Formula: C16H22N6O2 MolecularWeight: 330.38488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)N3CCNCC3)CC=C

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC=C)N(C(=N2)N3CCNCC3)CC=C

InChI

InChI=1S/C16H22N6O2/c1-4-8-21-12-13(18-15(21)20-10-6-17-7-11-20)19(3)16(24)22(9-5-2)14(12)23/h4-5,17H,1-2,6-11H2,3H3