ethyl (3S)-1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(1S)-1-(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)ethyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidine-3-carboxylate CAS Name: (3S)-1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(1S)-1-(4-amino-6-anilino-1,3,5-triazin-2-yl)ethyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(1S)-1-(4-amino-6-anilino-s-triazin-2-yl)ethyl]nipecotic acid ethyl ester Formula: C19H26N6O2 MolecularWeight: 370.44874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)[C@@H](C)C2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C19H26N6O2/c1-3-27-17(26)14-8-7-11-25(12-14)13(2)16-22-18(20)24-19(23-16)21-15-9-5-4-6-10-15/h4-6,9-10,13-14H,3,7-8,11-12H2,1-2H3,(H3,20,21,22,23,24)/t13-,14-/m0/s1