4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pteridin-7-amine

Systemtic Name: 4-(4-oxidanidylthiomorpholin-4-ium-4-yl)-N-(phenylmethyl)-2-piperazin-1-yl-pteridin-7-amine Openeye Name: N-benzyl-4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-yl-pteridin-7-amine CAS Name: 4-(4-oxido-4-thiomorpholin-4-iumyl)-N-(phenylmethyl)-2-(1-piperazinyl)-7-pteridinamine IUPAC Name: N-benzyl-4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazin-1-ylpteridin-7-amine Traditional Name: benzyl-[4-(4-oxidothiomorpholin-4-ium-4-yl)-2-piperazino-pteridin-7-yl]amine Formula: C21H26N8OS MolecularWeight: 438.54914

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=NC(=CN=C3C(=N2)[N+]4(CCSCC4)[O-])NCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1)C2=NC3=NC(=CN=C3C(=N2)[N+]4(CCSCC4)[O-])NCC5=CC=CC=C5

InChI

InChI=1S/C21H26N8OS/c30-29(10-12-31-13-11-29)20-18-19(26-21(27-20)28-8-6-22-7-9-28)25-17(15-24-18)23-14-16-4-2-1-3-5-16/h1-5,15,22H,6-14H2,(H,23,25,26,27)