N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine

Systemtic Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Openeye Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine CAS Name: N-[6-(4-ethyl-1-piperazinyl)-5-nitro-4-pyrimidinyl]-6-methyl-1,3-benzothiazol-2-amine IUPAC Name: N-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-6-methyl-1,3-benzothiazol-2-amine Traditional Name: [6-(4-ethylpiperazino)-5-nitro-pyrimidin-4-yl]-(6-methyl-1,3-benzothiazol-2-yl)amine Formula: C18H21N7O2S MolecularWeight: 399.47004

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)C)[N+](=O)[O-]

InChI

InChI=1S/C18H21N7O2S/c1-3-23-6-8-24(9-7-23)17-15(25(26)27)16(19-11-20-17)22-18-21-13-5-4-12(2)10-14(13)28-18/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,20,21,22)