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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

Isomeric SMILES

CCCC1=C(N2C3=C(N=C2N(C1=O)C4=CC=CC=C4)N(C(=O)N(C3=O)CC)CC)O

InChI

InChI=1S/C21H23N5O4/c1-4-10-14-17(27)25(13-11-8-7-9-12-13)20-22-16-15(26(20)18(14)28)19(29)24(6-3)21(30)23(16)5-2/h7-9,11-12,28H,4-6,10H2,1-3H3