N-[2,7-bis(azanyl)-6-phenylsulfanyl-pteridin-4-yl]ethanamide

Systemtic Name: N-[2,7-bis(azanyl)-6-phenylsulfanyl-pteridin-4-yl]ethanamide Openeye Name: N-(2,7-diamino-6-phenylsulfanyl-pteridin-4-yl)acetamide CAS Name: N-[2,7-diamino-6-(phenylthio)-4-pteridinyl]acetamide IUPAC Name: N-(2,7-diamino-6-phenylsulfanylpteridin-4-yl)acetamide Traditional Name: N-[2,7-diamino-6-(phenylthio)pteridin-4-yl]acetamide Formula: C14H13N7OS MolecularWeight: 327.36432

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=NC2=C1N=C(C(=N2)N)SC3=CC=CC=C3)N

Isomeric SMILES

CC(=O)NC1=NC(=NC2=C1N=C(C(=N2)N)SC3=CC=CC=C3)N

InChI

InChI=1S/C14H13N7OS/c1-7(22)17-11-9-12(21-14(16)20-11)19-10(15)13(18-9)23-8-5-3-2-4-6-8/h2-6H,1H3,(H5,15,16,17,19,20,21,22)