azanyl 2-azanyl-2-methanethioyl-3-[(phenylmethyl)amino]-3-pyrimidin-5-yl-piperidine-1-carboxylate

Systemtic Name: azanyl 2-azanyl-2-methanethioyl-3-[(phenylmethyl)amino]-3-pyrimidin-5-yl-piperidine-1-carboxylate Openeye Name: amino 2-amino-3-(benzylamino)-2-methanethioyl-3-pyrimidin-5-yl-piperidine-1-carboxylate CAS Name: 2-amino-2-methanethioyl-3-[(phenylmethyl)amino]-3-(5-pyrimidinyl)-1-piperidinecarboxylic acid amino ester IUPAC Name: amino 2-amino-3-(benzylamino)-2-methanethioyl-3-pyrimidin-5-ylpiperidine-1-carboxylate Traditional Name: 2-amino-3-(benzylamino)-3-(5-pyrimidyl)-2-thioformyl-piperidine-1-carboxylic acid amino ester Formula: C18H22N6O2S MolecularWeight: 386.47128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)C(=O)ON)(C=S)N)(C2=CN=CN=C2)NCC3=CC=CC=C3

Isomeric SMILES

C1CC(C(N(C1)C(=O)ON)(C=S)N)(C2=CN=CN=C2)NCC3=CC=CC=C3

InChI

InChI=1S/C18H22N6O2S/c19-18(12-27)17(15-10-21-13-22-11-15,7-4-8-24(18)16(25)26-20)23-9-14-5-2-1-3-6-14/h1-3,5-6,10-13,23H,4,7-9,19-20H2