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

Systemtic Name: 7-butyl-1,3-dimethyl-8-oxidanyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-(2-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-butyl-8-hydroxy-1,3-dimethyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

InChI

InChI=1S/C20H22N6O4/c1-4-5-9-13-16(27)25(11-12-8-6-7-10-21-12)19-22-15-14(26(19)17(13)28)18(29)24(3)20(30)23(15)2/h6-8,10,27H,4-5,9,11H2,1-3H3