N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-quinolin-8-ylsulfanyl-pyrimidin-4-amine Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-(8-quinolylsulfanyl)pyrimidin-4-amine CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-nitro-6-(8-quinolinylthio)-4-pyrimidinamine IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-5-nitro-6-quinolin-8-ylsulfanylpyrimidin-4-amine Traditional Name: 2-(cyclohexen-1-yl)ethyl-[5-nitro-6-(8-quinolylthio)pyrimidin-4-yl]amine Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC(=CC1)CCNC2=C(C(=NC=N2)SC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O2S/c27-26(28)19-20(23-13-11-15-6-2-1-3-7-15)24-14-25-21(19)29-17-10-4-8-16-9-5-12-22-18(16)17/h4-6,8-10,12,14H,1-3,7,11,13H2,(H,23,24,25)