3-(2-chloroethyl)-1-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-1-methyl-urea

Systemtic Name: 3-(2-chloroethyl)-1-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-1-methyl-urea Openeye Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methyl-urea CAS Name: 1-[4-(3-chloroanilino)-6-quinazolinyl]-3-(2-chloroethyl)-1-methylurea IUPAC Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methylurea Traditional Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methyl-urea Formula: C18H17Cl2N5O MolecularWeight: 390.26648

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Cl)C(=O)NCCCl

Isomeric SMILES

CN(C1=CC2=C(C=C1)N=CN=C2NC3=CC(=CC=C3)Cl)C(=O)NCCCl

InChI

InChI=1S/C18H17Cl2N5O/c1-25(18(26)21-8-7-19)14-5-6-16-15(10-14)17(23-11-22-16)24-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,26)(H,22,23,24)