[2-azanyl-5-(2-cyanoethyl)-6-phenyl-pyrimidin-4-yl] carbamimidothioate

Systemtic Name: [2-azanyl-5-(2-cyanoethyl)-6-phenyl-pyrimidin-4-yl] carbamimidothioate Openeye Name: 2-[2-amino-5-(2-cyanoethyl)-6-phenyl-pyrimidin-4-yl]isothiourea CAS Name: carbamimidothioic acid [2-amino-5-(2-cyanoethyl)-6-phenyl-4-pyrimidinyl] ester IUPAC Name: [2-amino-5-(2-cyanoethyl)-6-phenylpyrimidin-4-yl] carbamimidothioate Traditional Name: 2-[2-amino-5-(2-cyanoethyl)-6-phenyl-pyrimidin-4-yl]isothiourea Formula: C14H14N6S MolecularWeight: 298.36616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)SC(=N)N)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=NC(=N2)N)SC(=N)N)CCC#N

InChI

InChI=1S/C14H14N6S/c15-8-4-7-10-11(9-5-2-1-3-6-9)19-14(18)20-12(10)21-13(16)17/h1-3,5-6H,4,7H2,(H3,16,17)(H2,18,19,20)