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

Systemtic Name: 7-butyl-1,3-diethyl-8-oxidanyl-9-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Openeye Name: 7-butyl-1,3-diethyl-8-hydroxy-9-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione CAS Name: 7-butyl-1,3-diethyl-8-hydroxy-9-(3-pyridinylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione IUPAC Name: 7-butyl-1,3-diethyl-8-hydroxy-9-(pyridin-3-ylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Traditional Name: 7-butyl-1,3-diethyl-8-hydroxy-9-(3-pyridylmethyl)purino[7,8-a]pyrimidine-2,4,6-trione Formula: C22H26N6O4 MolecularWeight: 438.47964

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CN=CC=C4)O

Isomeric SMILES

CCCCC1=C(N(C2=NC3=C(N2C1=O)C(=O)N(C(=O)N3CC)CC)CC4=CN=CC=C4)O

InChI

InChI=1S/C22H26N6O4/c1-4-7-10-15-18(29)27(13-14-9-8-11-23-12-14)21-24-17-16(28(21)19(15)30)20(31)26(6-3)22(32)25(17)5-2/h8-9,11-12,29H,4-7,10,13H2,1-3H3