1-[4-[5-[(2-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol

Systemtic Name: 1-[4-[5-[(2-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[4-[5-[(2-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[4-[5-[(2-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[4-[5-[(2-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[4-[5-(2-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-3-propargyloxy-propan-2-ol Formula: C28H31ClN4O2 MolecularWeight: 491.02434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC#C)O)CC4=CC=CC=C4Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC#C)O)CC4=CC=CC=C4Cl

InChI

InChI=1S/C28H31ClN4O2/c1-3-17-35-20-24(34)19-32-13-15-33(16-14-32)28-25(18-23-11-7-8-12-26(23)29)21(2)30-27(31-28)22-9-5-4-6-10-22/h1,4-12,24,34H,13-20H2,2H3