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

Systemtic Name: 2-[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxidanylidene-pyrimidin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]ethanamide Openeye Name: 2-[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxo-pyrimidin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide CAS Name: 2-[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxo-1-pyrimidinyl]-N-[(4-carbamimidoylphenyl)methyl]acetamide IUPAC Name: 2-[2-(3-aminophenyl)-5-(cyclobutylamino)-6-oxopyrimidin-1-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide Traditional Name: N-(4-amidinobenzyl)-2-[2-(3-aminophenyl)-5-(cyclobutylamino)-6-keto-pyrimidin-1-yl]acetamide Formula: C24H27N7O2 MolecularWeight: 445.51688

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

Isomeric SMILES

C1CC(C1)NC2=CN=C(N(C2=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N

InChI

InChI=1S/C24H27N7O2/c25-18-4-1-3-17(11-18)23-29-13-20(30-19-5-2-6-19)24(33)31(23)14-21(32)28-12-15-7-9-16(10-8-15)22(26)27/h1,3-4,7-11,13,19,30H,2,5-6,12,14,25H2,(H3,26,27)(H,28,32)