2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]ethanenitrile

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]ethanenitrile Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]acetonitrile CAS Name: 2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]acetonitrile IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]acetonitrile Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-2-[3-(dimethylamino)propylamino]-4H-pyrimidin-4-yl]acetonitrile Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCNC1=NC=CC(N1C2=NC3=CC=CC=C3S2)CC#N

Isomeric SMILES

CN(C)CCCNC1=NC=CC(N1C2=NC3=CC=CC=C3S2)CC#N

InChI

InChI=1S/C18H22N6S/c1-23(2)13-5-11-20-17-21-12-9-14(8-10-19)24(17)18-22-15-6-3-4-7-16(15)25-18/h3-4,6-7,9,12,14H,5,8,11,13H2,1-2H3,(H,20,21)