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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC#C)O)CC4=CC(=CC=C4)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC#C)O)CC4=CC(=CC=C4)Cl

InChI

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