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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CN=CC=C4)O)C

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N3C(=O)C(=C(N(C3=N2)CC4=CN=CC=C4)O)C

InChI

InChI=1S/C19H20N6O4/c1-4-22-14-13(17(28)23(5-2)19(22)29)25-16(27)11(3)15(26)24(18(25)21-14)10-12-7-6-8-20-9-12/h6-9,26H,4-5,10H2,1-3H3