2-[4-(3-azanyl-5-oxidanyl-phenyl)-1-(cyclopropylamino)-6-oxidanylidene-pyrimidin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide

Systemtic Name: 2-[4-(3-azanyl-5-oxidanyl-phenyl)-1-(cyclopropylamino)-6-oxidanylidene-pyrimidin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[4-(3-amino-5-hydroxy-phenyl)-1-(cyclopropylamino)-6-oxo-pyrimidin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[4-(3-amino-5-hydroxyphenyl)-1-(cyclopropylamino)-6-oxo-5-pyrimidinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[4-(3-amino-5-hydroxyphenyl)-1-(cyclopropylamino)-6-oxopyrimidin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[4-(3-amino-5-hydroxy-phenyl)-1-(cyclopropylamino)-6-keto-pyrimidin-5-yl]acetamide Formula: C23H25N7O3 MolecularWeight: 447.4897

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NN2C=NC(=C(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

Isomeric SMILES

C1CC1NN2C=NC(=C(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC(=C4)O)N

InChI

InChI=1S/C23H25N7O3/c24-16-7-15(8-18(31)9-16)21-19(23(33)30(12-28-21)29-17-5-6-17)10-20(32)27-11-13-1-3-14(4-2-13)22(25)26/h1-4,7-9,12,17,29,31H,5-6,10-11,24H2,(H3,25,26)(H,27,32)