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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-pentyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-7-pentyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-pentyl-9-(2-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-pentyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-amyl-8-hydroxy-1,3-dimethyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C21H24N6O4 MolecularWeight: 424.45306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

Isomeric SMILES

CCCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

InChI

InChI=1S/C21H24N6O4/c1-4-5-6-10-14-17(28)26(12-13-9-7-8-11-22-13)20-23-16-15(27(20)18(14)29)19(30)25(3)21(31)24(16)2/h7-9,11,28H,4-6,10,12H2,1-3H3