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

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

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCN1C(=C(C(=O)N2C1=NC3=C2C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

InChI

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