4-chloranyl-6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]pyrimidin-2-amine

Systemtic Name: 4-chloranyl-6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]pyrimidin-2-amine Openeye Name: 4-chloro-6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]pyrimidin-2-amine CAS Name: 4-chloro-6-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]-2-pyrimidinamine IUPAC Name: 4-chloro-6-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]pyrimidin-2-amine Traditional Name: [4-chloro-6-[4-(coumaran-5-ylmethyl)piperazino]pyrimidin-2-yl]amine Formula: C17H20ClN5O MolecularWeight: 345.8266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=CC(=NC(=N4)N)Cl

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C4=CC(=NC(=N4)N)Cl

InChI

InChI=1S/C17H20ClN5O/c18-15-10-16(21-17(19)20-15)23-6-4-22(5-7-23)11-12-1-2-14-13(9-12)3-8-24-14/h1-2,9-10H,3-8,11H2,(H2,19,20,21)