1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea

Systemtic Name: 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea Openeye Name: 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1-pyrimidin-2-yl-3-piperidyl)methyl]urea CAS Name: 1-(1-propyl-1,2,4-triazol-3-yl)-3-[[1-(2-pyrimidinyl)-3-piperidinyl]methyl]urea IUPAC Name: 1-(1-propyl-1,2,4-triazol-3-yl)-3-[(1-pyrimidin-2-ylpiperidin-3-yl)methyl]urea Traditional Name: 1-(1-propyl-1,2,4-triazol-3-yl)-3-[[1-(2-pyrimidyl)-3-piperidyl]methyl]urea Formula: C16H24N8O MolecularWeight: 344.41476

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC(=N1)NC(=O)NCC2CCCN(C2)C3=NC=CC=N3

Isomeric SMILES

CCCN1C=NC(=N1)NC(=O)NCC2CCCN(C2)C3=NC=CC=N3

InChI

InChI=1S/C16H24N8O/c1-2-8-24-12-20-14(22-24)21-16(25)19-10-13-5-3-9-23(11-13)15-17-6-4-7-18-15/h4,6-7,12-13H,2-3,5,8-11H2,1H3,(H2,19,21,22,25)