ethyl 3-(3-carbamimidoylphenyl)-3-[(6-chloranyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]propanoate

Systemtic Name: ethyl 3-(3-carbamimidoylphenyl)-3-[(6-chloranyl-7-pyrrolidin-1-ylcarbonyl-quinazolin-4-yl)amino]propanoate Openeye Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propanoate CAS Name: 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-[oxo(1-pyrrolidinyl)methyl]-4-quinazolinyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-(3-carbamimidoylphenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propanoate Traditional Name: 3-(3-amidinophenyl)-3-[[6-chloro-7-(pyrrolidine-1-carbonyl)quinazolin-4-yl]amino]propionic acid ethyl ester Formula: C25H27ClN6O3 MolecularWeight: 494.97328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC2=NC=NC3=CC(=C(C=C32)Cl)C(=O)N4CCCC4

Isomeric SMILES

CCOC(=O)CC(C1=CC=CC(=C1)C(=N)N)NC2=NC=NC3=CC(=C(C=C32)Cl)C(=O)N4CCCC4

InChI

InChI=1S/C25H27ClN6O3/c1-2-35-22(33)13-20(15-6-5-7-16(10-15)23(27)28)31-24-18-11-19(26)17(12-21(18)29-14-30-24)25(34)32-8-3-4-9-32/h5-7,10-12,14,20H,2-4,8-9,13H2,1H3,(H3,27,28)(H,29,30,31)