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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CC=CC=C4)O

InChI

InChI=1S/C23H27N5O4/c1-4-7-13-16-19(29)27(14-15-11-9-8-10-12-15)22-24-18-17(28(22)20(16)30)21(31)26(6-3)23(32)25(18)5-2/h8-12,29H,4-7,13-14H2,1-3H3