4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-3-phenyl-thiophene-2-carboximidamide

Systemtic Name: 4-[2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl]-3-phenyl-thiophene-2-carboximidamide Openeye Name: 4-[2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl]-3-phenyl-thiophene-2-carboxamidine CAS Name: 4-[2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl]-3-phenyl-2-thiophenecarboximidamide IUPAC Name: 4-[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl]-3-phenylthiophene-2-carboximidamide Traditional Name: 4-[2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl]-3-phenyl-thiophene-2-carboxamidine Formula: C20H20N6O2S MolecularWeight: 408.4768

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CSC(=C3C4=CC=CC=C4)C(=N)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCC3=CSC(=C3C4=CC=CC=C4)C(=N)N

InChI

InChI=1S/C20H20N6O2S/c1-24-18-15(19(27)25(2)20(24)28)26(11-23-18)9-8-13-10-29-16(17(21)22)14(13)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3,(H3,21,22)