6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 6-[4-(3-chlorophenyl)-1-piperazinyl]-5-nitro-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-[4-(3-chlorophenyl)piperazin-1-yl]-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-[4-(3-chlorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C20H21ClN6O2S MolecularWeight: 444.93774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN6O2S/c21-15-3-1-4-16(13-15)25-8-10-26(11-9-25)20-18(27(28)29)19(23-14-24-20)22-7-6-17-5-2-12-30-17/h1-5,12-14H,6-11H2,(H,22,23,24)