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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxidanylidene-5-(phenethylamino)-2-pyridin-3-yl-pyrimidin-1-yl]ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-(3-pyridyl)pyrimidin-1-yl]acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-(3-pyridinyl)-1-pyrimidinyl]acetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-[6-oxo-5-(phenethylamino)-2-pyridin-3-ylpyrimidin-1-yl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[6-keto-5-(phenethylamino)-2-(3-pyridyl)pyrimidin-1-yl]acetamide Formula: C27H27N7O2 MolecularWeight: 481.54898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CN=CC=C4

InChI

InChI=1S/C27H27N7O2/c28-25(29)21-10-8-20(9-11-21)15-32-24(35)18-34-26(22-7-4-13-30-16-22)33-17-23(27(34)36)31-14-12-19-5-2-1-3-6-19/h1-11,13,16-17,31H,12,14-15,18H2,(H3,28,29)(H,32,35)