3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione

Systemtic Name: 3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Openeye Name: 3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione CAS Name: 3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione IUPAC Name: 3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-dione Traditional Name: 3-heptyl-1-methyl-9-phenyl-6,7,8,10-tetrahydropurino[7,8-a]pyrimidin-5-ium-2,4-quinone Formula: C22H30N5O2+ MolecularWeight: 396.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(NC3=[N+]2CCCN3C4=CC=CC=C4)N(C1=O)C

InChI

InChI=1S/C22H29N5O2/c1-3-4-5-6-10-14-27-20(28)18-19(24(2)22(27)29)23-21-25(15-11-16-26(18)21)17-12-8-7-9-13-17/h7-9,12-13H,3-6,10-11,14-16H2,1-2H3/p+1