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

Systemtic Name: 7-butyl-8-oxidanyl-9-(phenylmethyl)-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-8-hydroxy-9-(phenylmethyl)-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dipropylpurino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 9-benzyl-7-butyl-8-hydroxy-1,3-dipropyl-purino[7,8-a]pyrimidine-2,4,6-trione Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CCC)CCC)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H31N5O4/c1-4-7-13-18-21(31)29(16-17-11-9-8-10-12-17)24-26-20-19(30(24)22(18)32)23(33)28(15-6-3)25(34)27(20)14-5-2/h8-12,31H,4-7,13-16H2,1-3H3