N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(phenylmethylsulfanyl)benzamide

Systemtic Name: N-[4,6-bis(azanyl)pyrimidin-5-yl]-4-(phenylmethylsulfanyl)benzamide Openeye Name: 4-benzylsulfanyl-N-(4,6-diaminopyrimidin-5-yl)benzamide CAS Name: N-(4,6-diamino-5-pyrimidinyl)-4-(phenylmethylthio)benzamide IUPAC Name: 4-benzylsulfanyl-N-(4,6-diaminopyrimidin-5-yl)benzamide Traditional Name: 4-(benzylthio)-N-(4,6-diaminopyrimidin-5-yl)benzamide Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=C(C=C2)C(=O)NC3=C(N=CN=C3N)N

InChI

InChI=1S/C18H17N5OS/c19-16-15(17(20)22-11-21-16)23-18(24)13-6-8-14(9-7-13)25-10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,23,24)(H4,19,20,21,22)