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ethyl 4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name:ethyl 4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate
Openeye Name:ethyl 4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylate
CAS Name:4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester
IUPAC Name:ethyl 4-[6-(1,3-benzothiazol-2-ylamino)-5-nitropyrimidin-4-yl]piperazine-1-carboxylate
Traditional Name:4-[6-(1,3-benzothiazol-2-ylamino)-5-nitro-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester
Formula: C18H19N7O4S
MolecularWeight: 429.45296
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]


Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=NC=N2)NC3=NC4=CC=CC=C4S3)[N+](=O)[O-]


InChI

InChI=1S/C18H19N7O4S/c1-2-29-18(26)24-9-7-23(8-10-24)16-14(25(27)28)15(19-11-20-16)22-17-21-12-5-3-4-6-13(12)30-17/h3-6,11H,2,7-10H2,1H3,(H,19,20,21,22)


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