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

Systemtic Name: 4-[4-[2-(3-aminophenyl)-3-chloranyl-5-(cyclobutylamino)-6-oxidanylidene-pyrazin-1-yl]-1-oxidanyl-butyl]benzenecarboximidamide Openeye Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-pyrazin-1-yl]-1-hydroxy-butyl]benzamidine CAS Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxo-1-pyrazinyl]-1-hydroxybutyl]benzenecarboximidamide IUPAC Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-oxopyrazin-1-yl]-1-hydroxybutyl]benzenecarboximidamide Traditional Name: 4-[4-[2-(3-aminophenyl)-3-chloro-5-(cyclobutylamino)-6-keto-pyrazin-1-yl]-1-hydroxy-butyl]benzamidine Formula: C25H29ClN6O2 MolecularWeight: 480.98976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29ClN6O2/c26-22-21(17-4-1-5-18(27)14-17)32(25(34)24(31-22)30-19-6-2-7-19)13-3-8-20(33)15-9-11-16(12-10-15)23(28)29/h1,4-5,9-12,14,19-20,33H,2-3,6-8,13,27H2,(H3,28,29)(H,30,31)