carbamothioyl 2-azanyl-4-[4-(cyclopropylamino)pyrimidin-5-yl]-2-ethyl-piperidine-1-carboxylate

Systemtic Name: carbamothioyl 2-azanyl-4-[4-(cyclopropylamino)pyrimidin-5-yl]-2-ethyl-piperidine-1-carboxylate Openeye Name: carbamothioyl 2-amino-4-[4-(cyclopropylamino)pyrimidin-5-yl]-2-ethyl-piperidine-1-carboxylate CAS Name: 2-amino-4-[4-(cyclopropylamino)-5-pyrimidinyl]-2-ethyl-1-piperidinecarboxylic acid carbamothioyl ester IUPAC Name: carbamothioyl 2-amino-4-[4-(cyclopropylamino)pyrimidin-5-yl]-2-ethylpiperidine-1-carboxylate Traditional Name: 2-amino-4-[4-(cyclopropylamino)pyrimidin-5-yl]-2-ethyl-piperidine-1-carboxylic acid thiocarbamoyl ester Formula: C16H24N6O2S MolecularWeight: 364.46576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(CCN1C(=O)OC(=S)N)C2=CN=CN=C2NC3CC3)N

Isomeric SMILES

CCC1(CC(CCN1C(=O)OC(=S)N)C2=CN=CN=C2NC3CC3)N

InChI

InChI=1S/C16H24N6O2S/c1-2-16(18)7-10(5-6-22(16)15(23)24-14(17)25)12-8-19-9-20-13(12)21-11-3-4-11/h8-11H,2-7,18H2,1H3,(H2,17,25)(H,19,20,21)