3-dodecyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-dodecyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-dodecyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-dodecyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-dodecyl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-lauryl-1-methyl-9-phenyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C27H39N5O2 MolecularWeight: 465.63086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C27H39N5O2/c1-3-4-5-6-7-8-9-10-11-15-19-32-25(33)23-24(29(2)27(32)34)28-26-30(20-16-21-31(23)26)22-17-13-12-14-18-22/h12-14,17-18H,3-11,15-16,19-21H2,1-2H3