N2,N4-bis[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazoline-2,4-diamine

Systemtic Name: N2,N4-bis[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazoline-2,4-diamine Openeye Name: N2,N4-bis[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]quinazoline-2,4-diamine CAS Name: N2,N4-bis[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]quinazoline-2,4-diamine IUPAC Name: 2-N,4-N-bis[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]quinazoline-2,4-diamine Traditional Name: [5-[[2-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-anilino]quinazolin-4-yl]amino]-2-methoxy-benzyl]-bis(2-chloroethyl)amine Formula: C32H38Cl4N6O2 MolecularWeight: 680.49512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)OC)CN(CCCl)CCCl)CN(CCCl)CCCl

Isomeric SMILES

COC1=C(C=C(C=C1)NC2=NC(=NC3=CC=CC=C32)NC4=CC(=C(C=C4)OC)CN(CCCl)CCCl)CN(CCCl)CCCl

InChI

InChI=1S/C32H38Cl4N6O2/c1-43-29-9-7-25(19-23(29)21-41(15-11-33)16-12-34)37-31-27-5-3-4-6-28(27)39-32(40-31)38-26-8-10-30(44-2)24(20-26)22-42(17-13-35)18-14-36/h3-10,19-20H,11-18,21-22H2,1-2H3,(H2,37,38,39,40)