3-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: 3-[(2-chloranyl-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: 3-[(2-chloro-7H-purin-6-yl)amino]-1-[4-(3-methoxyphenyl)piperazino]propan-1-one Formula: C19H22ClN7O2 MolecularWeight: 415.87668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)N2CCN(CC2)C(=O)CCNC3=NC(=NC4=C3NC=N4)Cl

InChI

InChI=1S/C19H22ClN7O2/c1-29-14-4-2-3-13(11-14)26-7-9-27(10-8-26)15(28)5-6-21-17-16-18(23-12-22-16)25-19(20)24-17/h2-4,11-12H,5-10H2,1H3,(H2,21,22,23,24,25)