4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-prop-2-enyl-piperazine-1-carbothioamide

Systemtic Name: 4-(6-methyl-2-propan-2-yl-pyrimidin-4-yl)-N-prop-2-enyl-piperazine-1-carbothioamide Openeye Name: N-allyl-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide CAS Name: 4-(6-methyl-2-propan-2-yl-4-pyrimidinyl)-N-prop-2-enyl-1-piperazinecarbothioamide IUPAC Name: 4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-N-prop-2-enylpiperazine-1-carbothioamide Traditional Name: N-allyl-4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazine-1-carbothioamide Formula: C16H25N5S MolecularWeight: 319.4682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC=C

Isomeric SMILES

CC1=CC(=NC(=N1)C(C)C)N2CCN(CC2)C(=S)NCC=C

InChI

InChI=1S/C16H25N5S/c1-5-6-17-16(22)21-9-7-20(8-10-21)14-11-13(4)18-15(19-14)12(2)3/h5,11-12H,1,6-10H2,2-4H3,(H,17,22)