1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(2-methylsulfanylethyl)urea

Systemtic Name: 1-[4-[(3-ethynylphenyl)amino]quinazolin-6-yl]-3-(2-methylsulfanylethyl)urea Openeye Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methylsulfanylethyl)urea CAS Name: 1-[4-(3-ethynylanilino)-6-quinazolinyl]-3-[2-(methylthio)ethyl]urea IUPAC Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-(2-methylsulfanylethyl)urea Traditional Name: 1-[4-(3-ethynylanilino)quinazolin-6-yl]-3-[2-(methylthio)ethyl]urea Formula: C20H19N5OS MolecularWeight: 377.46276

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Descriptors Computed from Structure

Canonical SMILES:

CSCCNC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

Isomeric SMILES

CSCCNC(=O)NC1=CC2=C(C=C1)N=CN=C2NC3=CC=CC(=C3)C#C

InChI

InChI=1S/C20H19N5OS/c1-3-14-5-4-6-15(11-14)24-19-17-12-16(7-8-18(17)22-13-23-19)25-20(26)21-9-10-27-2/h1,4-8,11-13H,9-10H2,2H3,(H2,21,25,26)(H,22,23,24)