6-chloranyl-N-oxidanidyl-N-(phenylmethyl)-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-7-amine

Systemtic Name: 6-chloranyl-N-oxidanidyl-N-(phenylmethyl)-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-7-amine Openeye Name: N-benzyl-6-chloro-N-oxido-2-piperazin-1-yl-4-thiomorpholino-pteridin-7-amine CAS Name: 6-chloro-N-oxido-N-(phenylmethyl)-2-(1-piperazinyl)-4-thiomorpholin-4-yl-7-pteridinamine IUPAC Name: N-benzyl-6-chloro-N-oxido-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine Traditional Name: benzyl-(6-chloro-2-piperazino-4-thiomorpholino-pteridin-7-yl)-oxido-amine Formula: C21H24ClN8OS- MolecularWeight: 471.98626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=C(C(=N3)N(CC5=CC=CC=C5)[O-])Cl

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=C(C(=N3)N(CC5=CC=CC=C5)[O-])Cl

InChI

InChI=1S/C21H24ClN8OS/c22-17-20(30(31)14-15-4-2-1-3-5-15)25-18-16(24-17)19(28-10-12-32-13-11-28)27-21(26-18)29-8-6-23-7-9-29/h1-5,23H,6-14H2/q-1