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

Systemtic Name: N-(phenylmethyl)-6-(phenylmethylsulfanyl)-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-7-amine Openeye Name: N-benzyl-6-benzylsulfanyl-2-piperazin-1-yl-4-thiomorpholino-pteridin-7-amine CAS Name: N-(phenylmethyl)-6-(phenylmethylthio)-2-(1-piperazinyl)-4-thiomorpholin-4-yl-7-pteridinamine IUPAC Name: N-benzyl-6-benzylsulfanyl-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-7-amine Traditional Name: benzyl-[6-(benzylthio)-2-piperazino-4-thiomorpholino-pteridin-7-yl]amine Formula: C28H32N8S2 MolecularWeight: 544.73728

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=C(C(=N3)NCC5=CC=CC=C5)SCC6=CC=CC=C6

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=C(C(=N3)NCC5=CC=CC=C5)SCC6=CC=CC=C6

InChI

InChI=1S/C28H32N8S2/c1-3-7-21(8-4-1)19-30-25-27(38-20-22-9-5-2-6-10-22)31-23-24(32-25)33-28(36-13-11-29-12-14-36)34-26(23)35-15-17-37-18-16-35/h1-10,29H,11-20H2,(H,30,32,33,34)