1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-N-phenyl-1,2,4-triazol-3-amine

Systemtic Name: 1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-N-phenyl-1,2,4-triazol-3-amine Openeye Name: 1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-N-phenyl-1,2,4-triazol-3-amine CAS Name: 1-[6-[(3S,5R)-3,5-dimethyl-1-piperazinyl]-4-pyrimidinyl]-N-phenyl-1,2,4-triazol-3-amine IUPAC Name: 1-[6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyrimidin-4-yl]-N-phenyl-1,2,4-triazol-3-amine Traditional Name: [1-[6-[(3S,5R)-3,5-dimethylpiperazino]pyrimidin-4-yl]-1,2,4-triazol-3-yl]-phenyl-amine Formula: C18H22N8 MolecularWeight: 350.42088

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1)C)C2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

Isomeric SMILES

C[C@@H]1CN(C[C@@H](N1)C)C2=NC=NC(=C2)N3C=NC(=N3)NC4=CC=CC=C4

InChI

InChI=1S/C18H22N8/c1-13-9-25(10-14(2)22-13)16-8-17(20-11-19-16)26-12-21-18(24-26)23-15-6-4-3-5-7-15/h3-8,11-14,22H,9-10H2,1-2H3,(H,23,24)/t13-,14+