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

Systemtic Name: 1-(1-adamantyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea CAS Name: 1-(1-adamantyl)-3-[[3-(2,4-dimethoxy-5-pyrimidinyl)-1-oxoprop-2-enyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-enoylamino]thiourea Traditional Name: 1-(1-adamantyl)-3-[[3-(2,4-dimethoxypyrimidin-5-yl)acryloyl]amino]thiourea Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3)OC

Isomeric SMILES

COC1=NC(=NC=C1C=CC(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3)OC

InChI

InChI=1S/C20H27N5O3S/c1-27-17-15(11-21-18(22-17)28-2)3-4-16(26)24-25-19(29)23-20-8-12-5-13(9-20)7-14(6-12)10-20/h3-4,11-14H,5-10H2,1-2H3,(H,24,26)(H2,23,25,29)