[4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-(2-thienyl)methanone CAS Name: [4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]-4-pyrimidinyl]-1-piperazinyl]-thiophen-2-ylmethanone IUPAC Name: [4-[6-(methoxymethyl)-2-methyl-5-[(4-nitrophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[6-(methoxymethyl)-2-methyl-5-(4-nitrobenzyl)pyrimidin-4-yl]piperazino]-(2-thienyl)methanone Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)[N+](=O)[O-])COC

Isomeric SMILES

CC1=NC(=C(C(=N1)N2CCN(CC2)C(=O)C3=CC=CS3)CC4=CC=C(C=C4)[N+](=O)[O-])COC

InChI

InChI=1S/C23H25N5O4S/c1-16-24-20(15-32-2)19(14-17-5-7-18(8-6-17)28(30)31)22(25-16)26-9-11-27(12-10-26)23(29)21-4-3-13-33-21/h3-8,13H,9-12,14-15H2,1-2H3