6-(2-chloranyl-5-methyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine

Systemtic Name: 6-(2-chloranyl-5-methyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine Openeye Name: 6-(2-chloro-5-methyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine CAS Name: 6-(2-chloro-5-methyl-4-pyrimidinyl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine IUPAC Name: 6-(2-chloro-5-methylpyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidazo[4,5-d]azepine Traditional Name: 6-(2-chloro-5-methyl-pyrimidin-4-yl)-4,5,7,8-tetrahydro-1H-imidaz[4,5-d]azepine Formula: C24H28Cl2N10 MolecularWeight: 527.45212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(N=C1N2CCC3=C(CC2)N=CN3)Cl.CC1=CN=C(N=C1N2CCC3=C(CC2)N=CN3)Cl

Isomeric SMILES

CC1=CN=C(N=C1N2CCC3=C(CC2)N=CN3)Cl.CC1=CN=C(N=C1N2CCC3=C(CC2)N=CN3)Cl

InChI

InChI=1S/2C12H14ClN5/c2*1-8-6-14-12(13)17-11(8)18-4-2-9-10(3-5-18)16-7-15-9/h2*6-7H,2-5H2,1H3,(H,15,16)