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

Systemtic Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol Openeye Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxy-propan-2-ol CAS Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-prop-2-ynoxy-2-propanol IUPAC Name: 1-[4-[6-methyl-5-[(4-nitrophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-prop-2-ynoxypropan-2-ol Traditional Name: 1-[4-[6-methyl-5-(4-nitrobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-propargyloxy-propan-2-ol Formula: C28H31N5O4 MolecularWeight: 501.57684

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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=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC#C)O)CC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H31N5O4/c1-3-17-37-20-25(34)19-31-13-15-32(16-14-31)28-26(18-22-9-11-24(12-10-22)33(35)36)21(2)29-27(30-28)23-7-5-4-6-8-23/h1,4-12,25,34H,13-20H2,2H3