3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: 3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-heptyl-9-(3-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C23H31N5O3 MolecularWeight: 425.52394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

Isomeric SMILES

CCCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC(=CC=C4)OC)N(C1=O)C

InChI

InChI=1S/C23H31N5O3/c1-4-5-6-7-8-13-28-21(29)19-20(25(2)23(28)30)24-22-26(14-10-15-27(19)22)17-11-9-12-18(16-17)31-3/h9,11-12,16H,4-8,10,13-15H2,1-3H3