1-[[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-cyclohexa-2,4-dien-1-ylidene]methylideneamino]urea

Systemtic Name: 1-[[5-[3-[(4-carbamimidoylphenyl)amino]prop-1-ynyl]-2-pyrrolidin-1-ylcarbonyl-cyclohexa-2,4-dien-1-ylidene]methylideneamino]urea Openeye Name: [[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)cyclohexa-2,4-dien-1-ylidene]methyleneamino]urea CAS Name: [[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-[oxo(1-pyrrolidinyl)methyl]-1-cyclohexa-2,4-dienylidene]methylideneamino]urea IUPAC Name: [[5-[3-(4-carbamimidoylanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)cyclohexa-2,4-dien-1-ylidene]methylideneamino]urea Traditional Name: [[5-[3-(4-amidinoanilino)prop-1-ynyl]-2-(pyrrolidine-1-carbonyl)cyclohexa-2,4-dien-1-ylidene]methyleneamino]urea Formula: C23H25N7O2 MolecularWeight: 431.4903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(CC2=C=NNC(=O)N)C#CCNC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(CC2=C=NNC(=O)N)C#CCNC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C23H25N7O2/c24-21(25)17-6-8-19(9-7-17)27-11-3-4-16-5-10-20(22(31)30-12-1-2-13-30)18(14-16)15-28-29-23(26)32/h5-10,27H,1-2,11-14H2,(H3,24,25)(H3,26,29,32)