1,3-diethyl-8-[6-[(phenylmethyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione

Systemtic Name: 1,3-diethyl-8-[6-[(phenylmethyl)amino]pyridin-3-yl]-5,7-dihydro-4H-purine-2,6-dione Openeye Name: 8-[6-(benzylamino)-3-pyridyl]-1,3-diethyl-5,7-dihydro-4H-purine-2,6-dione CAS Name: 1,3-diethyl-8-[6-[(phenylmethyl)amino]-3-pyridinyl]-5,7-dihydro-4H-purine-2,6-dione IUPAC Name: 8-[6-(benzylamino)pyridin-3-yl]-1,3-diethyl-5,7-dihydro-4H-purine-2,6-dione Traditional Name: 8-[6-(benzylamino)-3-pyridyl]-1,3-diethyl-5,7-dihydro-4H-purine-2,6-quinone Formula: C21H24N6O2 MolecularWeight: 392.45426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CC=C4

Isomeric SMILES

CCN1C2C(C(=O)N(C1=O)CC)NC(=N2)C3=CN=C(C=C3)NCC4=CC=CC=C4

InChI

InChI=1S/C21H24N6O2/c1-3-26-19-17(20(28)27(4-2)21(26)29)24-18(25-19)15-10-11-16(23-13-15)22-12-14-8-6-5-7-9-14/h5-11,13,17,19H,3-4,12H2,1-2H3,(H,22,23)(H,24,25)