N-methyl-9-(phenylmethyl)-2-prop-1-ynyl-purin-6-amine

Systemtic Name: N-methyl-9-(phenylmethyl)-2-prop-1-ynyl-purin-6-amine Openeye Name: 9-benzyl-N-methyl-2-prop-1-ynyl-purin-6-amine CAS Name: N-methyl-9-(phenylmethyl)-2-prop-1-ynyl-6-purinamine IUPAC Name: 9-benzyl-N-methyl-2-prop-1-ynylpurin-6-amine Traditional Name: (9-benzyl-2-prop-1-ynyl-purin-6-yl)-methyl-amine Formula: C16H15N5 MolecularWeight: 277.3238

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=NC2=C(C(=N1)NC)N=CN2CC3=CC=CC=C3

Isomeric SMILES

CC#CC1=NC2=C(C(=N1)NC)N=CN2CC3=CC=CC=C3

InChI

InChI=1S/C16H15N5/c1-3-7-13-19-15(17-2)14-16(20-13)21(11-18-14)10-12-8-5-4-6-9-12/h4-6,8-9,11H,10H2,1-2H3,(H,17,19,20)