5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine

Systemtic Name: 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine Openeye Name: 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 5-[[4-(cyclopropylmethyl)-1-piperazinyl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine IUPAC Name: 5-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenylpyrimidine Traditional Name: 5-[[4-(cyclopropylmethyl)piperazino]methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine Formula: C26H29N5O2 MolecularWeight: 443.54076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCN(CC2)CC3CC3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCN(CC2)CC3CC3)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-19-24(18-30-14-12-29(13-15-30)17-20-10-11-20)25(22-8-5-9-23(16-22)31(32)33)28-26(27-19)21-6-3-2-4-7-21/h2-9,16,20H,10-15,17-18H2,1H3