N3-[2-chloranyl-9-(phenylmethyl)purin-6-yl]benzene-1,3-diamine

Systemtic Name: N3-[2-chloranyl-9-(phenylmethyl)purin-6-yl]benzene-1,3-diamine Openeye Name: N3-(9-benzyl-2-chloro-purin-6-yl)benzene-1,3-diamine CAS Name: N3-[2-chloro-9-(phenylmethyl)-6-purinyl]benzene-1,3-diamine IUPAC Name: 3-N-(9-benzyl-2-chloropurin-6-yl)benzene-1,3-diamine Traditional Name: (3-aminophenyl)-(9-benzyl-2-chloro-purin-6-yl)amine Formula: C18H15ClN6 MolecularWeight: 350.8049

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=CC(=C4)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=NC3=C2N=C(N=C3NC4=CC=CC(=C4)N)Cl

InChI

InChI=1S/C18H15ClN6/c19-18-23-16(22-14-8-4-7-13(20)9-14)15-17(24-18)25(11-21-15)10-12-5-2-1-3-6-12/h1-9,11H,10,20H2,(H,22,23,24)