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

Systemtic Name: 7-butyl-1,3-diethyl-6-oxidanyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 7-butyl-1,3-diethyl-6-hydroxy-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 7-butyl-1,3-diethyl-6-hydroxy-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 7-butyl-1,3-diethyl-6-hydroxy-9-phenylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 7-butyl-1,3-diethyl-6-hydroxy-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

Isomeric SMILES

CCCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

InChI

InChI=1S/C22H25N5O4/c1-4-7-13-15-18(28)26(14-11-9-8-10-12-14)21-23-17-16(27(21)19(15)29)20(30)25(6-3)22(31)24(17)5-2/h8-12,29H,4-7,13H2,1-3H3