azanyl 3-azanyl-2-carbamothioyl-3-[(2,4-dimethylphenyl)methyl]-2-pyrimidin-5-yl-piperidine-1-carboxylate

Systemtic Name: azanyl 3-azanyl-2-carbamothioyl-3-[(2,4-dimethylphenyl)methyl]-2-pyrimidin-5-yl-piperidine-1-carboxylate Openeye Name: amino 3-amino-2-carbamothioyl-3-[(2,4-dimethylphenyl)methyl]-2-pyrimidin-5-yl-piperidine-1-carboxylate CAS Name: 3-amino-2-carbamothioyl-3-[(2,4-dimethylphenyl)methyl]-2-(5-pyrimidinyl)-1-piperidinecarboxylic acid amino ester IUPAC Name: amino 3-amino-2-carbamothioyl-3-[(2,4-dimethylphenyl)methyl]-2-pyrimidin-5-ylpiperidine-1-carboxylate Traditional Name: 3-amino-3-(2,4-dimethylbenzyl)-2-(5-pyrimidyl)-2-thiocarbamoyl-piperidine-1-carboxylic acid amino ester Formula: C20H26N6O2S MolecularWeight: 414.52444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC2(CCCN(C2(C3=CN=CN=C3)C(=S)N)C(=O)ON)N)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC2(CCCN(C2(C3=CN=CN=C3)C(=S)N)C(=O)ON)N)C

InChI

InChI=1S/C20H26N6O2S/c1-13-4-5-15(14(2)8-13)9-19(22)6-3-7-26(18(27)28-23)20(19,17(21)29)16-10-24-12-25-11-16/h4-5,8,10-12H,3,6-7,9,22-23H2,1-2H3,(H2,21,29)