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

Systemtic Name: 2-[4-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol Openeye Name: 2-[4-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazin-1-yl]ethanol CAS Name: 2-[4-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-4-pyrimidinyl]-1-piperazinyl]ethanol IUPAC Name: 2-[4-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitropyrimidin-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[6-[(6-methyl-1,3-benzothiazol-2-yl)amino]-5-nitro-pyrimidin-4-yl]piperazino]ethanol Formula: C18H21N7O3S MolecularWeight: 415.46944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)NC3=NC=NC(=C3[N+](=O)[O-])N4CCN(CC4)CCO

InChI

InChI=1S/C18H21N7O3S/c1-12-2-3-13-14(10-12)29-18(21-13)22-16-15(25(27)28)17(20-11-19-16)24-6-4-23(5-7-24)8-9-26/h2-3,10-11,26H,4-9H2,1H3,(H,19,20,21,22)