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

Systemtic Name: 1-(2-chloroethyl)-3-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-3-methyl-1-nitroso-urea Openeye Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methyl-3-nitroso-urea CAS Name: 1-[4-(3-chloroanilino)-6-quinazolinyl]-3-(2-chloroethyl)-1-methyl-3-nitrosourea IUPAC Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methyl-3-nitrosourea Traditional Name: 1-[4-(3-chloroanilino)quinazolin-6-yl]-3-(2-chloroethyl)-1-methyl-3-nitroso-urea Formula: C18H16Cl2N6O2 MolecularWeight: 419.26464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16Cl2N6O2/c1-25(18(27)26(24-28)8-7-19)14-5-6-16-15(10-14)17(22-11-21-16)23-13-4-2-3-12(20)9-13/h2-6,9-11H,7-8H2,1H3,(H,21,22,23)