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

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine Openeye Name: 5-[(4-isopropylpiperazin-1-yl)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine CAS Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-propan-2-yl-1-piperazinyl)methyl]pyrimidine IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-propan-2-ylpiperazin-1-yl)methyl]pyrimidine Traditional Name: 5-[(4-isopropylpiperazino)methyl]-4-methyl-6-(3-nitrophenyl)-2-phenyl-pyrimidine Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1CN2CCN(CC2)C(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1CN2CCN(CC2)C(C)C)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H29N5O2/c1-18(2)29-14-12-28(13-15-29)17-23-19(3)26-25(20-8-5-4-6-9-20)27-24(23)21-10-7-11-22(16-21)30(31)32/h4-11,16,18H,12-15,17H2,1-3H3