2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol

Systemtic Name: 2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C17H19N7O3S MolecularWeight: 401.44286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CCO)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N7O3S/c25-10-9-22-5-7-23(8-6-22)16-14(24(26)27)15(18-11-19-16)21-17-20-12-3-1-2-4-13(12)28-17/h1-4,11,25H,5-10H2,(H,18,19,20,21)