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

Systemtic Name: 1-(2-chloroethyl)-3-methyl-3-[4-[(3-methylphenyl)amino]quinazolin-6-yl]-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-3-methyl-3-[4-(3-methylanilino)quinazolin-6-yl]-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-methyl-3-[4-(3-methylanilino)-6-quinazolinyl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-methyl-3-[4-(3-methylanilino)quinazolin-6-yl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-methyl-3-[4-(m-toluidino)quinazolin-6-yl]-1-nitroso-urea Formula: C19H19ClN6O2 MolecularWeight: 398.84616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N(C)C(=O)N(CCCl)N=O

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NC=NC3=C2C=C(C=C3)N(C)C(=O)N(CCCl)N=O

InChI

InChI=1S/C19H19ClN6O2/c1-13-4-3-5-14(10-13)23-18-16-11-15(6-7-17(16)21-12-22-18)25(2)19(27)26(24-28)9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,21,22,23)