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

Systemtic Name: 6-methoxy-N-[6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine Openeye Name: 6-methoxy-N-[6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-yl]-1,3-benzothiazol-2-amine CAS Name: 6-methoxy-N-[6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinyl]-1,3-benzothiazol-2-amine IUPAC Name: 6-methoxy-N-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,3-benzothiazol-2-amine Traditional Name: (6-methoxy-1,3-benzothiazol-2-yl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C18H20N6O3S MolecularWeight: 400.4548

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NC3=NC4=C(S3)C=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H20N6O3S/c1-11-4-3-7-23(9-11)17-15(24(25)26)16(19-10-20-17)22-18-21-13-6-5-12(27-2)8-14(13)28-18/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,20,21,22)