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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=CN=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

Isomeric SMILES

CC(C)NC1=CN=C(N(C1=O)CC(=O)NCC2=CC=C(C=C2)C(=N)N)C3=CN=CC=C3

InChI

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