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

Systemtic Name: 1-(2-chloroethyl)-3-[4-[(3-methylphenyl)amino]quinazolin-6-yl]urea Openeye Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)quinazolin-6-yl]urea CAS Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)-6-quinazolinyl]urea IUPAC Name: 1-(2-chloroethyl)-3-[4-(3-methylanilino)quinazolin-6-yl]urea Traditional Name: 1-(2-chloroethyl)-3-[4-(m-toluidino)quinazolin-6-yl]urea Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClN5O/c1-12-3-2-4-13(9-12)23-17-15-10-14(24-18(25)20-8-7-19)5-6-16(15)21-11-22-17/h2-6,9-11H,7-8H2,1H3,(H2,20,24,25)(H,21,22,23)