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

Systemtic Name: 8-[6-[(2-oxidanyl-2-phenyl-ethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-[(2-hydroxy-2-phenyl-ethyl)amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 8-[6-[(2-hydroxy-2-phenylethyl)amino]-3-pyridinyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-[(2-hydroxy-2-phenylethyl)amino]pyridin-3-yl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-[(2-hydroxy-2-phenyl-ethyl)amino]-3-pyridyl]-1,3-dipropyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C24H30N6O3 MolecularWeight: 450.5334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N6O3/c1-3-12-29-22-20(23(32)30(13-4-2)24(29)33)27-21(28-22)17-10-11-19(25-14-17)26-15-18(31)16-8-6-5-7-9-16/h5-11,14,18,20,22,31H,3-4,12-13,15H2,1-2H3,(H,25,26)(H,27,28)