N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-7H-purin-6-amine

Systemtic Name: N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-7H-purin-6-amine Openeye Name: N-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyleneamino]-7H-purin-6-amine CAS Name: N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-7H-purin-6-amine IUPAC Name: N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-7H-purin-6-amine Traditional Name: bis(2-chloroethyl)-[3-methyl-4-[(7H-purin-6-ylhydrazono)methyl]phenyl]amine Formula: C17H19Cl2N7 MolecularWeight: 392.28566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC2=NC=NC3=C2NC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC2=NC=NC3=C2NC=N3

InChI

InChI=1S/C17H19Cl2N7/c1-12-8-14(26(6-4-18)7-5-19)3-2-13(12)9-24-25-17-15-16(21-10-20-15)22-11-23-17/h2-3,8-11H,4-7H2,1H3,(H2,20,21,22,23,25)