[[1-azanyl-1-azanylidene-5-(pyridin-3-ylcarbonylamino)pentan-2-yl]amino] pyridine-3-carboxylate

Systemtic Name: [[1-azanyl-1-azanylidene-5-(pyridin-3-ylcarbonylamino)pentan-2-yl]amino] pyridine-3-carboxylate Openeye Name: [[1-carbamimidoyl-4-(pyridine-3-carbonylamino)butyl]amino] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [[1-amino-1-imino-5-[[oxo(3-pyridinyl)methyl]amino]pentan-2-yl]amino] ester IUPAC Name: [[1-amino-1-imino-5-(pyridine-3-carbonylamino)pentan-2-yl]amino] pyridine-3-carboxylate Traditional Name: nicotinic acid [(1-amidino-4-nicotinamido-butyl)amino] ester Formula: C17H20N6O3 MolecularWeight: 356.3791

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NCCCC(C(=N)N)NOC(=O)C2=CN=CC=C2

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NCCCC(C(=N)N)NOC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H20N6O3/c18-15(19)14(23-26-17(25)13-5-2-8-21-11-13)6-3-9-22-16(24)12-4-1-7-20-10-12/h1-2,4-5,7-8,10-11,14,23H,3,6,9H2,(H3,18,19)(H,22,24)