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

Systemtic Name: 3-(2-chloroethyl)-1-methyl-1-[4-[(3-methylphenyl)amino]quinazolin-6-yl]urea Openeye Name: 3-(2-chloroethyl)-1-methyl-1-[4-(3-methylanilino)quinazolin-6-yl]urea CAS Name: 3-(2-chloroethyl)-1-methyl-1-[4-(3-methylanilino)-6-quinazolinyl]urea IUPAC Name: 3-(2-chloroethyl)-1-methyl-1-[4-(3-methylanilino)quinazolin-6-yl]urea Traditional Name: 3-(2-chloroethyl)-1-methyl-1-[4-(m-toluidino)quinazolin-6-yl]urea Formula: C19H20ClN5O MolecularWeight: 369.848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5O/c1-13-4-3-5-14(10-13)24-18-16-11-15(6-7-17(16)22-12-23-18)25(2)19(26)21-9-8-20/h3-7,10-12H,8-9H2,1-2H3,(H,21,26)(H,22,23,24)