(7S)-9-(4-ethoxyphenyl)-1-methyl-7-oxidanyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione

Systemtic Name: (7S)-9-(4-ethoxyphenyl)-1-methyl-7-oxidanyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: (7S)-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: (7S)-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: (7S)-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-3-pentyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: (7S)-3-amyl-7-hydroxy-1-methyl-9-p-phenetyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)OCC)O)N(C1=O)C

Isomeric SMILES

CCCCCN1C(=O)C2=C(N=C3N2C[C@H](CN3C4=CC=C(C=C4)OCC)O)N(C1=O)C

InChI

InChI=1S/C22H29N5O4/c1-4-6-7-12-25-20(29)18-19(24(3)22(25)30)23-21-26(13-16(28)14-27(18)21)15-8-10-17(11-9-15)31-5-2/h8-11,16,28H,4-7,12-14H2,1-3H3/t16-/m0/s1