N'-(4-tert-butylphenyl)-4-(5-chloranylpyrimidin-4-yl)-N-oxidanyl-piperazine-1-carboximidamide

Systemtic Name: N'-(4-tert-butylphenyl)-4-(5-chloranylpyrimidin-4-yl)-N-oxidanyl-piperazine-1-carboximidamide Openeye Name: N'-(4-tert-butylphenyl)-4-(5-chloropyrimidin-4-yl)-N-hydroxy-piperazine-1-carboxamidine CAS Name: N'-(4-tert-butylphenyl)-4-(5-chloro-4-pyrimidinyl)-N-hydroxy-1-piperazinecarboximidamide IUPAC Name: N'-(4-tert-butylphenyl)-4-(5-chloropyrimidin-4-yl)-N-hydroxypiperazine-1-carboximidamide Traditional Name: N'-(4-tert-butylphenyl)-4-(5-chloropyrimidin-4-yl)-N-hydroxy-piperazine-1-carboxamidine Formula: C19H25ClN6O MolecularWeight: 388.8944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=NC=NC=C3Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N=C(NO)N2CCN(CC2)C3=NC=NC=C3Cl

InChI

InChI=1S/C19H25ClN6O/c1-19(2,3)14-4-6-15(7-5-14)23-18(24-27)26-10-8-25(9-11-26)17-16(20)12-21-13-22-17/h4-7,12-13,27H,8-11H2,1-3H3,(H,23,24)