methyl 3-[[N-(4-chlorophenyl)-N'-prop-2-ynyl-carbamimidoyl]amino]pyrazine-2-carboxylate

Systemtic Name: methyl 3-[[N-(4-chlorophenyl)-N'-prop-2-ynyl-carbamimidoyl]amino]pyrazine-2-carboxylate Openeye Name: methyl 3-[[N-(4-chlorophenyl)-N'-prop-2-ynyl-carbamimidoyl]amino]pyrazine-2-carboxylate CAS Name: 3-[[(4-chloroanilino)-prop-2-ynyliminomethyl]amino]-2-pyrazinecarboxylic acid methyl ester IUPAC Name: methyl 3-[[N-(4-chlorophenyl)-N'-prop-2-ynylcarbamimidoyl]amino]pyrazine-2-carboxylate Traditional Name: 3-[[N-(4-chlorophenyl)-N'-propargyl-amidino]amino]pyrazinic acid methyl ester Formula: C16H14ClN5O2 MolecularWeight: 343.76766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NC=CN=C1NC(=NCC#C)NC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)C1=NC=CN=C1NC(=NCC#C)NC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H14ClN5O2/c1-3-8-20-16(21-12-6-4-11(17)5-7-12)22-14-13(15(23)24-2)18-9-10-19-14/h1,4-7,9-10H,8H2,2H3,(H2,19,20,21,22)