8-[6-[(2-oxidanylidene-2-pyrazin-2-yl-ethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 8-[6-[(2-oxidanylidene-2-pyrazin-2-yl-ethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-[(2-oxo-2-pyrazin-2-yl-ethyl)amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-[[2-oxo-2-(2-pyrazinyl)ethyl]amino]-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-[(2-oxo-2-pyrazin-2-ylethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-[(2-keto-2-pyrazin-2-yl-ethyl)amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C22H26N8O3 MolecularWeight: 450.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=NC=CN=C4

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)NC(=N2)C3=CN=C(C=C3)NCC(=O)C4=NC=CN=C4

InChI

InChI=1S/C22H26N8O3/c1-3-9-29-20-18(21(32)30(10-4-2)22(29)33)27-19(28-20)14-5-6-17(25-11-14)26-13-16(31)15-12-23-7-8-24-15/h5-8,11-12,18,20H,3-4,9-10,13H2,1-2H3,(H,25,26)(H,27,28)