methyl N'-[3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazin-2-yl]carbamimidothioate

Systemtic Name: methyl N'-[3-azanyl-6-chloranyl-5-(propan-2-ylamino)pyrazin-2-yl]carbamimidothioate Openeye Name: 3-[3-amino-6-chloro-5-(isopropylamino)pyrazin-2-yl]-2-methyl-isothiourea CAS Name: N'-[3-amino-6-chloro-5-(propan-2-ylamino)-2-pyrazinyl]carbamimidothioic acid methyl ester IUPAC Name: methyl N'-[3-amino-6-chloro-5-(propan-2-ylamino)pyrazin-2-yl]carbamimidothioate Traditional Name: 3-[3-amino-6-chloro-5-(isopropylamino)pyrazin-2-yl]-2-methyl-isothiourea Formula: C9H15ClN6S MolecularWeight: 274.7736

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC(=C(N=C1Cl)N=C(N)SC)N

Isomeric SMILES

CC(C)NC1=NC(=C(N=C1Cl)/N=C(\N)/SC)N

InChI

InChI=1S/C9H15ClN6S/c1-4(2)13-7-5(10)14-8(6(11)15-7)16-9(12)17-3/h4H,1-3H3,(H3,11,13,15)(H2,12,14,16)