N-cyclopropyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine

Systemtic Name: N-cyclopropyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitro-pyrimidin-4-amine Openeye Name: N-cyclopropyl-2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]-5-nitro-pyrimidin-4-amine CAS Name: N-cyclopropyl-2-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]-5-nitro-4-pyrimidinamine IUPAC Name: N-cyclopropyl-2-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-5-nitropyrimidin-4-amine Traditional Name: cyclopropyl-[2-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]-5-nitro-pyrimidin-4-yl]amine Formula: C16H20N6O4S2 MolecularWeight: 424.4978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C3=NC=C(C(=N3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C16H20N6O4S2/c1-11-2-5-14(27-11)28(25,26)21-8-6-20(7-9-21)16-17-10-13(22(23)24)15(19-16)18-12-3-4-12/h2,5,10,12H,3-4,6-9H2,1H3,(H,17,18,19)