1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea

Systemtic Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Openeye Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea CAS Name: 1-[2-(1-cyclohexenyl)ethyl]-3-[[3-(2,4-dimethoxy-5-pyrimidinyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Traditional Name: 1-[2-(cyclohexen-1-yl)ethyl]-3-[[3-(2,4-dimethoxypyrimidin-5-yl)acryloyl]amino]thiourea Formula: C18H25N5O3S MolecularWeight: 391.4878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NCCC2=CCCCC2)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NCCC2=CCCCC2)OC

InChI

InChI=1S/C18H25N5O3S/c1-25-16-14(12-20-17(21-16)26-2)8-9-15(24)22-23-18(27)19-11-10-13-6-4-3-5-7-13/h6,8-9,12H,3-5,7,10-11H2,1-2H3,(H,22,24)(H2,19,23,27)