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

Systemtic Name: 3-hexyl-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: 3-hexyl-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: 3-hexyl-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: 3-hexyl-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: 3-hexyl-9-(2-methoxyphenyl)-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H29N5O3 MolecularWeight: 411.49736

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4OC)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C3N2CCCN3C4=CC=CC=C4OC)N(C1=O)C

InChI

InChI=1S/C22H29N5O3/c1-4-5-6-9-13-27-20(28)18-19(24(2)22(27)29)23-21-25(14-10-15-26(18)21)16-11-7-8-12-17(16)30-3/h7-8,11-12H,4-6,9-10,13-15H2,1-3H3