N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-amine hydrochloride

Systemtic Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-amine hydrochloride Openeye Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxy-phenyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-amine hydrochloride CAS Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-6-methyl-2-(methylthio)-4-pyrimidinamine hydrochloride IUPAC Name: N-[3-[bis(2-chloroethyl)aminomethyl]-4-methoxyphenyl]-6-methyl-2-methylsulfanylpyrimidin-4-amine hydrochloride Traditional Name: bis(2-chloroethyl)-[2-methoxy-5-[[6-methyl-2-(methylthio)pyrimidin-4-yl]amino]benzyl]amine hydrochloride Formula: C18H25Cl3N4OS MolecularWeight: 451.8413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)OC)CN(CCCl)CCCl.Cl

Isomeric SMILES

CC1=CC(=NC(=N1)SC)NC2=CC(=C(C=C2)OC)CN(CCCl)CCCl.Cl

InChI

InChI=1S/C18H24Cl2N4OS.ClH/c1-13-10-17(23-18(21-13)26-3)22-15-4-5-16(25-2)14(11-15)12-24(8-6-19)9-7-20;/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,22,23);1H