1,3-dimethyl-6-oxidanyl-7-pentyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione

Systemtic Name: 1,3-dimethyl-6-oxidanyl-7-pentyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 6-hydroxy-1,3-dimethyl-7-pentyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 6-hydroxy-1,3-dimethyl-7-pentyl-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 6-hydroxy-1,3-dimethyl-7-pentyl-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-amyl-6-hydroxy-1,3-dimethyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CCCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C21H23N5O4/c1-4-5-7-12-14-17(27)25(13-10-8-6-9-11-13)20-22-16-15(26(20)18(14)28)19(29)24(3)21(30)23(16)2/h6,8-11,28H,4-5,7,12H2,1-3H3