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

Systemtic Name: 1-(2-chloroethyl)-3-[4-[(3-methylphenyl)amino]quinazolin-6-yl]-1-nitroso-urea Openeye Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)quinazolin-6-yl]-1-nitroso-urea CAS Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)-6-quinazolinyl]-1-nitrosourea IUPAC Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)quinazolin-6-yl]-1-nitrosourea Traditional Name: 1-(2-chloroethyl)-3-[4-(m-toluidino)quinazolin-6-yl]-1-nitroso-urea Formula: C18H17ClN6O2 MolecularWeight: 384.81958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN6O2/c1-12-3-2-4-13(9-12)22-17-15-10-14(5-6-16(15)20-11-21-17)23-18(26)25(24-27)8-7-19/h2-6,9-11H,7-8H2,1H3,(H,23,26)(H,20,21,22)