N-(1-benzothiophen-3-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-(1-benzothiophen-3-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-(benzothiophen-3-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitro-pyrimidin-4-amine CAS Name: N-(1-benzothiophen-3-ylmethyl)-6-(4-methyl-1-piperazinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-(1-benzothiophen-3-ylmethyl)-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: benzothiophen-3-ylmethyl-[6-(4-methylpiperazino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CSC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=NC=N2)NCC3=CSC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O2S/c1-22-6-8-23(9-7-22)18-16(24(25)26)17(20-12-21-18)19-10-13-11-27-15-5-3-2-4-14(13)15/h2-5,11-12H,6-10H2,1H3,(H,19,20,21)