methyl 4-[(4-carbamimidoylphenyl)methyl]-3-cyclopropyl-2-oxidanylidene-1,3-dihydropyrazine-6-carboxylate

Systemtic Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-3-cyclopropyl-2-oxidanylidene-1,3-dihydropyrazine-6-carboxylate Openeye Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-3-cyclopropyl-2-oxo-1,3-dihydropyrazine-6-carboxylate CAS Name: 4-[(4-carbamimidoylphenyl)methyl]-3-cyclopropyl-2-oxo-1,3-dihydropyrazine-6-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-carbamimidoylphenyl)methyl]-3-cyclopropyl-2-oxo-1,3-dihydropyrazine-6-carboxylate Traditional Name: 4-(4-amidinobenzyl)-3-cyclopropyl-2-keto-1,3-dihydropyrazine-6-carboxylic acid methyl ester Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(C(=O)N1)C2CC2)CC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

COC(=O)C1=CN(C(C(=O)N1)C2CC2)CC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C17H20N4O3/c1-24-17(23)13-9-21(14(11-6-7-11)16(22)20-13)8-10-2-4-12(5-3-10)15(18)19/h2-5,9,11,14H,6-8H2,1H3,(H3,18,19)(H,20,22)