N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxidanylidene-5-(propylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxidanylidene-5-(propylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(propylamino)-2-(3-pyridyl)pyrimidin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(propylamino)-2-(3-pyridinyl)-1-pyrimidinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(propylamino)-2-pyridin-3-ylpyrimidin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-keto-5-(propylamino)-2-(3-pyridyl)pyrimidin-1-yl]acetamide Formula: C22H25N7O2 MolecularWeight: 419.4796

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=CN=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

Isomeric SMILES

CCCNC1=CN=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

InChI

InChI=1S/C22H25N7O2/c1-2-9-26-18-13-28-21(17-4-3-10-25-12-17)29(22(18)31)14-19(30)27-11-15-5-7-16(8-6-15)20(23)24/h3-8,10,12-13,26H,2,9,11,14H2,1H3,(H3,23,24)(H,27,30)