4-[[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]amino]-1H-quinazolin-2-one

Systemtic Name: 4-[[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-phenyl]amino]-1H-quinazolin-2-one Openeye Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-anilino]-1H-quinazolin-2-one CAS Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyanilino]-1H-quinazolin-2-one IUPAC Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxyanilino]-1H-quinazolin-2-one Traditional Name: 4-[3-[bis(2-chloroethyl)aminomethyl]-4-ethoxy-anilino]-1H-quinazolin-2-one Formula: C21H24Cl2N4O2 MolecularWeight: 435.34686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC2=NC(=O)NC3=CC=CC=C32)CN(CCCl)CCCl

Isomeric SMILES

CCOC1=C(C=C(C=C1)NC2=NC(=O)NC3=CC=CC=C32)CN(CCCl)CCCl

InChI

InChI=1S/C21H24Cl2N4O2/c1-2-29-19-8-7-16(13-15(19)14-27(11-9-22)12-10-23)24-20-17-5-3-4-6-18(17)25-21(28)26-20/h3-8,13H,2,9-12,14H2,1H3,(H2,24,25,26,28)