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

Systemtic Name: (7R)-3-butyl-9-(4-ethoxyphenyl)-1-methyl-7-oxidanyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Openeye Name: (7R)-3-butyl-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione CAS Name: (7R)-3-butyl-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione IUPAC Name: (7R)-3-butyl-9-(4-ethoxyphenyl)-7-hydroxy-1-methyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-dione Traditional Name: (7R)-3-butyl-7-hydroxy-1-methyl-9-p-phenetyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-2,4-quinone Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C3N2CC(CN3C4=CC=C(C=C4)OCC)O)N(C1=O)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C3N2C[C@@H](CN3C4=CC=C(C=C4)OCC)O)N(C1=O)C

InChI

InChI=1S/C21H27N5O4/c1-4-6-11-24-19(28)17-18(23(3)21(24)29)22-20-25(12-15(27)13-26(17)20)14-7-9-16(10-8-14)30-5-2/h7-10,15,27H,4-6,11-13H2,1-3H3/t15-/m1/s1