(6-carbamimidoylnaphthalen-2-yl) 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate

Systemtic Name: (6-carbamimidoylnaphthalen-2-yl) 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate Openeye Name: (6-carbamimidoyl-2-naphthyl) 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate CAS Name: 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid (6-carbamimidoyl-2-naphthalenyl) ester IUPAC Name: (6-carbamimidoylnaphthalen-2-yl) 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoate Traditional Name: 4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)benzoic acid (6-amidino-2-naphthyl) ester Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=NC1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

Isomeric SMILES

C1CNC(=NC1)NC2=CC=C(C=C2)C(=O)OC3=CC4=C(C=C3)C=C(C=C4)C(=N)N

InChI

InChI=1S/C22H21N5O2/c23-20(24)17-3-2-16-13-19(9-6-15(16)12-17)29-21(28)14-4-7-18(8-5-14)27-22-25-10-1-11-26-22/h2-9,12-13H,1,10-11H2,(H3,23,24)(H2,25,26,27)