2-(aziridin-1-yl)-9-(phenylmethyl)-3H-purin-6-one

Systemtic Name: 2-(aziridin-1-yl)-9-(phenylmethyl)-3H-purin-6-one Openeye Name: 2-(aziridin-1-yl)-9-benzyl-3H-purin-6-one CAS Name: 2-(1-aziridinyl)-9-(phenylmethyl)-3H-purin-6-one IUPAC Name: 2-(aziridin-1-yl)-9-benzyl-3H-purin-6-one Traditional Name: 9-benzyl-2-ethylenimino-3H-purin-6-one Formula: C14H13N5O MolecularWeight: 267.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1CN1C2=NC(=O)C3=C(N2)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CN1C2=NC(=O)C3=C(N2)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C14H13N5O/c20-13-11-12(16-14(17-13)18-6-7-18)19(9-15-11)8-10-4-2-1-3-5-10/h1-5,9H,6-8H2,(H,16,17,20)