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

Systemtic Name: 1,3-diethyl-6-oxidanyl-9-phenyl-7-propan-2-yl-purino[7,8-a]pyrimidine-2,4,8-trione Openeye Name: 1,3-diethyl-6-hydroxy-7-isopropyl-9-phenyl-purino[7,8-a]pyrimidine-2,4,8-trione CAS Name: 1,3-diethyl-6-hydroxy-9-phenyl-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,8-trione IUPAC Name: 1,3-diethyl-6-hydroxy-9-phenyl-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,8-trione Traditional Name: 1,3-diethyl-6-hydroxy-7-isopropyl-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:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)C(C)C)O

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=C(C(=O)N(C3=N2)C4=CC=CC=C4)C(C)C)O

InChI

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