N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide

Systemtic Name: N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide Openeye Name: N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide CAS Name: N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide IUPAC Name: N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide Traditional Name: N-[5-(7H-purin-6-ylamino)-1,3-benzothiazol-2-yl]benzamide Formula: C19H13N7OS MolecularWeight: 387.41782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC4=NC=NC5=C4NC=N5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC2=NC3=C(S2)C=CC(=C3)NC4=NC=NC5=C4NC=N5

InChI

InChI=1S/C19H13N7OS/c27-18(11-4-2-1-3-5-11)26-19-25-13-8-12(6-7-14(13)28-19)24-17-15-16(21-9-20-15)22-10-23-17/h1-10H,(H,25,26,27)(H2,20,21,22,23,24)