6-(aziridin-1-yl)-9-(phenylmethyl)purin-2-amine; ethanol

Systemtic Name: 6-(aziridin-1-yl)-9-(phenylmethyl)purin-2-amine; ethanol Openeye Name: 6-(aziridin-1-yl)-9-benzyl-purin-2-amine; ethanol CAS Name: 6-(1-aziridinyl)-9-(phenylmethyl)-2-purinamine; ethanol IUPAC Name: 6-(aziridin-1-yl)-9-benzylpurin-2-amine; ethanol Traditional Name: (9-benzyl-6-ethylenimino-purin-2-yl)amine; ethanol Formula: C16H20N6O MolecularWeight: 312.3696

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Descriptors Computed from Structure

Canonical SMILES:

CCO.C1CN1C2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N

Isomeric SMILES

CCO.C1CN1C2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)N

InChI

InChI=1S/C14H14N6.C2H6O/c15-14-17-12(19-6-7-19)11-13(18-14)20(9-16-11)8-10-4-2-1-3-5-10;1-2-3/h1-5,9H,6-8H2,(H2,15,17,18);3H,2H2,1H3