6-(benzotriazol-1-yl)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-5-nitro-N-[2-(1-piperidyl)ethyl]pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-5-nitro-N-[2-(1-piperidinyl)ethyl]-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-5-nitro-N-(2-piperidin-1-ylethyl)pyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(2-piperidinoethyl)amine Formula: C17H20N8O2 MolecularWeight: 368.3931

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1CCN(CC1)CCNC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C17H20N8O2/c26-25(27)15-16(18-8-11-23-9-4-1-5-10-23)19-12-20-17(15)24-14-7-3-2-6-13(14)21-22-24/h2-3,6-7,12H,1,4-5,8-11H2,(H,18,19,20)