3-[3-[bis(2-chloroethyl)aminomethyl]-4-oxidanyl-phenyl]quinazolin-4-one

Systemtic Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-oxidanyl-phenyl]quinazolin-4-one Openeye Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-phenyl]quinazolin-4-one CAS Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]-4-quinazolinone IUPAC Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxyphenyl]quinazolin-4-one Traditional Name: 3-[3-[bis(2-chloroethyl)aminomethyl]-4-hydroxy-phenyl]quinazolin-4-one Formula: C19H19Cl2N3O2 MolecularWeight: 392.27906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)O)CN(CCCl)CCCl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C=N2)C3=CC(=C(C=C3)O)CN(CCCl)CCCl

InChI

InChI=1S/C19H19Cl2N3O2/c20-7-9-23(10-8-21)12-14-11-15(5-6-18(14)25)24-13-22-17-4-2-1-3-16(17)19(24)26/h1-6,11,13,25H,7-10,12H2