N-[2-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethyl]-4-carbamimidoyl-benzamide

Systemtic Name: N-[2-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]ethyl]-4-carbamimidoyl-benzamide Openeye Name: N-[2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]ethyl]-4-carbamimidoyl-benzamide CAS Name: N-[2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]ethyl]-4-carbamimidoylbenzamide IUPAC Name: N-[2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]ethyl]-4-carbamimidoylbenzamide Traditional Name: 4-amidino-N-[2-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]ethyl]benzamide Formula: C24H26ClN7O2 MolecularWeight: 479.96194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CCNC(=O)C3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CCNC(=O)C3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C24H26ClN7O2/c25-20-19(16-3-1-4-17(26)13-16)32(24(34)22(31-20)30-18-5-2-6-18)12-11-29-23(33)15-9-7-14(8-10-15)21(27)28/h1,3-4,7-10,13,18H,2,5-6,11-12,26H2,(H3,27,28)(H,29,33)(H,30,31)