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

Systemtic Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyrimidine Openeye Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyrimidine CAS Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-prop-2-ynyl-1-piperazinyl)methyl]pyrimidine IUPAC Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-prop-2-ynylpiperazin-1-yl)methyl]pyrimidine Traditional Name: 4-methyl-6-(3-nitrophenyl)-2-phenyl-5-[(4-propargylpiperazino)methyl]pyrimidine Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H25N5O2/c1-3-12-28-13-15-29(16-14-28)18-23-19(2)26-25(20-8-5-4-6-9-20)27-24(23)21-10-7-11-22(17-21)30(31)32/h1,4-11,17H,12-16,18H2,2H3