2-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylthiophene-3-carbonitrile

Systemtic Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazin-1-yl]carbonylthiophene-3-carbonitrile Openeye Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile CAS Name: 2-[[4-(4-butoxy-2-pyrimidinyl)-1-piperazinyl]-oxomethyl]-3-thiophenecarbonitrile IUPAC Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile Traditional Name: 2-[4-(4-butoxypyrimidin-2-yl)piperazine-1-carbonyl]thiophene-3-carbonitrile Formula: C18H21N5O2S MolecularWeight: 371.45664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)C#N

Isomeric SMILES

CCCCOC1=NC(=NC=C1)N2CCN(CC2)C(=O)C3=C(C=CS3)C#N

InChI

InChI=1S/C18H21N5O2S/c1-2-3-11-25-15-4-6-20-18(21-15)23-9-7-22(8-10-23)17(24)16-14(13-19)5-12-26-16/h4-6,12H,2-3,7-11H2,1H3