2-[4-[4-[(2S)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-5-oxidanylidene-5-piperazin-1-yl-pentyl]guanidine

Systemtic Name: 2-[4-[4-[(2S)-1-azanyl-2-methyl-butyl]-1,2,3-triazol-1-yl]-5-oxidanylidene-5-piperazin-1-yl-pentyl]guanidine Openeye Name: 2-[4-[4-[(2S)-1-amino-2-methyl-butyl]triazol-1-yl]-5-oxo-5-piperazin-1-yl-pentyl]guanidine CAS Name: 2-[4-[4-[(2S)-1-amino-2-methylbutyl]-1-triazolyl]-5-oxo-5-(1-piperazinyl)pentyl]guanidine IUPAC Name: 2-[4-[4-[(2S)-1-amino-2-methylbutyl]triazol-1-yl]-5-oxo-5-piperazin-1-ylpentyl]guanidine Traditional Name: 2-[4-[4-[(2S)-1-amino-2-methyl-butyl]triazol-1-yl]-5-keto-5-piperazino-pentyl]guanidine Formula: C17H33N9O MolecularWeight: 379.50362

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C1=CN(N=N1)C(CCCN=C(N)N)C(=O)N2CCNCC2)N

Isomeric SMILES

CC[C@H](C)C(C1=CN(N=N1)C(CCCN=C(N)N)C(=O)N2CCNCC2)N

InChI

InChI=1S/C17H33N9O/c1-3-12(2)15(18)13-11-26(24-23-13)14(5-4-6-22-17(19)20)16(27)25-9-7-21-8-10-25/h11-12,14-15,21H,3-10,18H2,1-2H3,(H4,19,20,22)/t12-,14?,15?/m0/s1