N-(2-azanyl-7-phenyl-6-phenylsulfanyl-pteridin-4-yl)ethanamide

Systemtic Name: N-(2-azanyl-7-phenyl-6-phenylsulfanyl-pteridin-4-yl)ethanamide Openeye Name: N-(2-amino-7-phenyl-6-phenylsulfanyl-pteridin-4-yl)acetamide CAS Name: N-[2-amino-7-phenyl-6-(phenylthio)-4-pteridinyl]acetamide IUPAC Name: N-(2-amino-7-phenyl-6-phenylsulfanylpteridin-4-yl)acetamide Traditional Name: N-[2-amino-7-phenyl-6-(phenylthio)pteridin-4-yl]acetamide Formula: C20H16N6OS MolecularWeight: 388.44564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)SC4=CC=CC=C4)N

Isomeric SMILES

CC(=O)NC1=NC(=NC2=C1N=C(C(=N2)C3=CC=CC=C3)SC4=CC=CC=C4)N

InChI

InChI=1S/C20H16N6OS/c1-12(27)22-17-16-18(26-20(21)25-17)23-15(13-8-4-2-5-9-13)19(24-16)28-14-10-6-3-7-11-14/h2-11H,1H3,(H3,21,22,23,25,26,27)