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

Systemtic Name: 7-hexyl-1,3-dimethyl-8-oxidanyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-7-hexyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-hexyl-8-hydroxy-1,3-dimethyl-9-(phenylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-hexyl-8-hydroxy-1,3-dimethylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-7-hexyl-8-hydroxy-1,3-dimethyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O4/c1-4-5-6-10-13-16-19(29)27(14-15-11-8-7-9-12-15)22-24-18-17(28(22)20(16)30)21(31)26(3)23(32)25(18)2/h7-9,11-12,29H,4-6,10,13-14H2,1-3H3