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

Systemtic Name: 1,3-dimethyl-8-oxidanyl-7-propyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(pyridin-2-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 8-hydroxy-1,3-dimethyl-7-propyl-9-(2-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

Isomeric SMILES

CCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3C)C)CC4=CC=CC=N4)O

InChI

InChI=1S/C19H20N6O4/c1-4-7-12-15(26)24(10-11-8-5-6-9-20-11)18-21-14-13(25(18)16(12)27)17(28)23(3)19(29)22(14)2/h5-6,8-9,26H,4,7,10H2,1-3H3