2-[7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile

Systemtic Name: 2-[7-(furan-2-ylmethyl)-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanenitrile Openeye Name: 2-[3-benzyl-7-(2-furylmethyl)-2,6-dioxo-purin-1-yl]acetonitrile CAS Name: 2-[7-(2-furanylmethyl)-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetonitrile IUPAC Name: 2-[3-benzyl-7-(furan-2-ylmethyl)-2,6-dioxopurin-1-yl]acetonitrile Traditional Name: 2-[3-benzyl-7-(2-furfuryl)-2,6-diketo-purin-1-yl]acetonitrile Formula: C19H15N5O3 MolecularWeight: 361.3541

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC#N)N(C=N3)CC4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C(=O)N(C2=O)CC#N)N(C=N3)CC4=CC=CO4

InChI

InChI=1S/C19H15N5O3/c20-8-9-23-18(25)16-17(21-13-22(16)12-15-7-4-10-27-15)24(19(23)26)11-14-5-2-1-3-6-14/h1-7,10,13H,9,11-12H2