N6-[(4-chlorophenyl)methyl]-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine

Systemtic Name: N6-[(4-chlorophenyl)methyl]-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Openeye Name: N6-[(4-chlorophenyl)methyl]-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine CAS Name: N6-[(4-chlorophenyl)methyl]-N4-(3-methoxyphenyl)pyrimidine-4,5,6-triamine IUPAC Name: 6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(4-chlorobenzyl)amino]pyrimidin-4-yl]-(3-methoxyphenyl)amine Formula: C18H18ClN5O MolecularWeight: 355.82142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC1=CC=CC(=C1)NC2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H18ClN5O/c1-25-15-4-2-3-14(9-15)24-18-16(20)17(22-11-23-18)21-10-12-5-7-13(19)8-6-12/h2-9,11H,10,20H2,1H3,(H2,21,22,23,24)