4-[4-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]-3-oxidanylidene-butyl]benzenecarboximidamide

Systemtic Name: 4-[4-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]-3-oxidanylidene-butyl]benzenecarboximidamide Openeye Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]-3-oxo-butyl]benzamidine CAS Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]-3-oxobutyl]benzenecarboximidamide IUPAC Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]-3-oxobutyl]benzenecarboximidamide Traditional Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]-3-keto-butyl]benzamidine Formula: C25H27ClN6O2 MolecularWeight: 478.97388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)CCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N)Cl

Isomeric SMILES

C1CC(C1)NC2=NC(=C(N(C2=O)CC(=O)CCC3=CC=C(C=C3)C(=N)N)C4=CC(=CC=C4)N)Cl

InChI

InChI=1S/C25H27ClN6O2/c26-22-21(17-3-1-4-18(27)13-17)32(25(34)24(31-22)30-19-5-2-6-19)14-20(33)12-9-15-7-10-16(11-8-15)23(28)29/h1,3-4,7-8,10-11,13,19H,2,5-6,9,12,14,27H2,(H3,28,29)(H,30,31)