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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-9-phenethyl-7-propan-2-yl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-7-isopropyl-1,3-dimethyl-9-phenethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-9-phenethyl-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-9-phenethyl-7-propan-2-ylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-7-isopropyl-1,3-dimethyl-9-phenethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4)O

Isomeric SMILES

CC(C)C1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CCC4=CC=CC=C4)O

InChI

InChI=1S/C21H23N5O4/c1-12(2)14-17(27)25(11-10-13-8-6-5-7-9-13)20-22-16-15(26(20)18(14)28)19(29)24(4)21(30)23(16)3/h5-9,12,27H,10-11H2,1-4H3