7-butyl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione

Systemtic Name: 7-butyl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

InChI

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