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

Systemtic Name: 1-(2-chloroethyl)-3-[4-[(3-chlorophenyl)amino]quinazolin-6-yl]-1-nitroso-urea Openeye Name: 3-[4-(3-chloroanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea CAS Name: 3-[4-(3-chloroanilino)-6-quinazolinyl]-1-(2-chloroethyl)-1-nitrosourea IUPAC Name: 3-[4-(3-chloroanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitrosourea Traditional Name: 3-[4-(3-chloroanilino)quinazolin-6-yl]-1-(2-chloroethyl)-1-nitroso-urea Formula: C17H14Cl2N6O2 MolecularWeight: 405.23806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N(CCCl)N=O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)NC2=NC=NC3=C2C=C(C=C3)NC(=O)N(CCCl)N=O

InChI

InChI=1S/C17H14Cl2N6O2/c18-6-7-25(24-27)17(26)23-13-4-5-15-14(9-13)16(21-10-20-15)22-12-3-1-2-11(19)8-12/h1-5,8-10H,6-7H2,(H,23,26)(H,20,21,22)