N-[3-(aminomethyl)phenyl]-9-methyl-8-pyridin-4-yl-purin-2-amine

Systemtic Name: N-[3-(aminomethyl)phenyl]-9-methyl-8-pyridin-4-yl-purin-2-amine Openeye Name: N-[3-(aminomethyl)phenyl]-9-methyl-8-(4-pyridyl)purin-2-amine CAS Name: N-[3-(aminomethyl)phenyl]-9-methyl-8-pyridin-4-yl-2-purinamine IUPAC Name: N-[3-(aminomethyl)phenyl]-9-methyl-8-pyridin-4-ylpurin-2-amine Traditional Name: [3-(aminomethyl)phenyl]-[9-methyl-8-(4-pyridyl)purin-2-yl]amine Formula: C18H17N7 MolecularWeight: 331.37448

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CN)C4=CC=NC=C4

Isomeric SMILES

CN1C(=NC2=CN=C(N=C21)NC3=CC=CC(=C3)CN)C4=CC=NC=C4

InChI

InChI=1S/C18H17N7/c1-25-16(13-5-7-20-8-6-13)23-15-11-21-18(24-17(15)25)22-14-4-2-3-12(9-14)10-19/h2-9,11H,10,19H2,1H3,(H,21,22,24)