N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazolin-4-amine

Systemtic Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazolin-4-amine Openeye Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazolin-4-amine CAS Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-4-quinazolinamine IUPAC Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]quinazolin-4-amine Traditional Name: bis(2-chloroethyl)-[2-methoxy-5-(quinazolin-4-ylamino)benzyl]amine Formula: C20H22Cl2N4O MolecularWeight: 405.32088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC=NC3=CC=CC=C32)CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC=NC3=CC=CC=C32)CN(CCCl)CCCl

InChI

InChI=1S/C20H22Cl2N4O/c1-27-19-7-6-16(12-15(19)13-26(10-8-21)11-9-22)25-20-17-4-2-3-5-18(17)23-14-24-20/h2-7,12,14H,8-11,13H2,1H3,(H,23,24,25)