8-[2,6-bis(2-methoxyethyl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[2,6-bis(2-methoxyethyl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[2,6-bis(2-methoxyethyl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[2,6-bis(2-methoxyethyl)-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[2,6-bis(2-methoxyethyl)pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[2,6-bis(2-methoxyethyl)-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H33N5O4 MolecularWeight: 431.52852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=C(C=C3)CCOC)CCOC

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=C(C=C3)CCOC)CCOC

InChI

InChI=1S/C22H33N5O4/c1-5-11-26-20-18(21(28)27(12-6-2)22(26)29)24-19(25-20)16-8-7-15(9-13-30-3)23-17(16)10-14-31-4/h7-8,18,20H,5-6,9-14H2,1-4H3,(H,24,25)