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

Systemtic Name: 1,3-diethyl-8-oxidanyl-7-pentyl-9-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 1,3-diethyl-8-hydroxy-7-pentyl-9-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 1,3-diethyl-8-hydroxy-7-pentyl-9-(3-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 1,3-diethyl-8-hydroxy-7-pentyl-9-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-1,3-diethyl-8-hydroxy-9-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C23H28N6O4 MolecularWeight: 452.50622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CN=CC=C4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CN=CC=C4)O

InChI

InChI=1S/C23H28N6O4/c1-4-7-8-11-16-19(30)28(14-15-10-9-12-24-13-15)22-25-18-17(29(22)20(16)31)21(32)27(6-3)23(33)26(18)5-2/h9-10,12-13,30H,4-8,11,14H2,1-3H3