N-[[4-carbamimidoyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide

Systemtic Name: N-[[4-carbamimidoyl-2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide Openeye Name: N-[[4-carbamimidoyl-2-[[2-(methylamino)-2-oxo-ethyl]amino]phenyl]methyl]-3,5-dimethoxy-4-methyl-benzamide CAS Name: N-[[4-carbamimidoyl-2-[[2-(methylamino)-2-oxoethyl]amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide IUPAC Name: N-[[4-carbamimidoyl-2-[[2-(methylamino)-2-oxoethyl]amino]phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide Traditional Name: N-[4-amidino-2-[[2-keto-2-(methylamino)ethyl]amino]benzyl]-3,5-dimethoxy-4-methyl-benzamide Formula: C21H27N5O4 MolecularWeight: 413.47018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)NCC2=C(C=C(C=C2)C(=N)N)NCC(=O)NC)OC

InChI

InChI=1S/C21H27N5O4/c1-12-17(29-3)8-15(9-18(12)30-4)21(28)26-10-14-6-5-13(20(22)23)7-16(14)25-11-19(27)24-2/h5-9,25H,10-11H2,1-4H3,(H3,22,23)(H,24,27)(H,26,28)