6-[[(4-chloranyl-2-methyl-phenyl)amino]methyl]quinazoline-2,4-diamine

Systemtic Name: 6-[[(4-chloranyl-2-methyl-phenyl)amino]methyl]quinazoline-2,4-diamine Openeye Name: 6-[(4-chloro-2-methyl-anilino)methyl]quinazoline-2,4-diamine CAS Name: 6-[(4-chloro-2-methylanilino)methyl]quinazoline-2,4-diamine IUPAC Name: 6-[(4-chloro-2-methylanilino)methyl]quinazoline-2,4-diamine Traditional Name: (4-chloro-2-methyl-phenyl)-[(2,4-diaminoquinazolin-6-yl)methyl]amine Formula: C16H16ClN5 MolecularWeight: 313.78474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)NCC2=CC3=C(C=C2)N=C(N=C3N)N

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)NCC2=CC3=C(C=C2)N=C(N=C3N)N

InChI

InChI=1S/C16H16ClN5/c1-9-6-11(17)3-5-13(9)20-8-10-2-4-14-12(7-10)15(18)22-16(19)21-14/h2-7,20H,8H2,1H3,(H4,18,19,21,22)