ethyl 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate Openeye Name: ethyl 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperidine-3-carboxylate CAS Name: 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]piperidine-3-carboxylate Traditional Name: 1-[6-[(4-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]nipecotic acid ethyl ester Formula: C20H22N6O4S MolecularWeight: 442.49148

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=C(C=CC=C4S3)C)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4S/c1-3-30-19(27)13-7-5-9-25(10-13)18-16(26(28)29)17(21-11-22-18)24-20-23-15-12(2)6-4-8-14(15)31-20/h4,6,8,11,13H,3,5,7,9-10H2,1-2H3,(H,21,22,23,24)