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

Systemtic Name: 5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Openeye Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-[2-(2-thienyl)ethyl]pyrimidin-4-amine CAS Name: 5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-N-(2-thiophen-2-ylethyl)-4-pyrimidinamine IUPAC Name: 6-(4-benzylpiperazin-1-yl)-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine Traditional Name: [6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]-[2-(2-thienyl)ethyl]amine Formula: C21H24N6O2S MolecularWeight: 424.51926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)NCCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C21H24N6O2S/c28-27(29)19-20(22-9-8-18-7-4-14-30-18)23-16-24-21(19)26-12-10-25(11-13-26)15-17-5-2-1-3-6-17/h1-7,14,16H,8-13,15H2,(H,22,23,24)