1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-1-propan-2-yl-urea

Systemtic Name: 1-[4-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2,5-dimethyl-phenyl]-1-propan-2-yl-urea Openeye Name: 1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-1-isopropyl-urea CAS Name: 1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-1-propan-2-ylurea IUPAC Name: 1-[4-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2,5-dimethylphenyl]-1-propan-2-ylurea Traditional Name: 1-[4-[3-(4-amidinoanilino)prop-1-ynyl]-2,5-dimethyl-phenyl]-1-isopropyl-urea Formula: C22H27N5O MolecularWeight: 377.48268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1C#CCNC2=CC=C(C=C2)C(=N)N)C)N(C(C)C)C(=O)N

InChI

InChI=1S/C22H27N5O/c1-14(2)27(22(25)28)20-13-15(3)18(12-16(20)4)6-5-11-26-19-9-7-17(8-10-19)21(23)24/h7-10,12-14,26H,11H2,1-4H3,(H3,23,24)(H2,25,28)