phenyl-[7-[(phenylmethyl)amino]-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-6-yl]sulfanyl-methanolate

Systemtic Name: phenyl-[7-[(phenylmethyl)amino]-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-6-yl]sulfanyl-methanolate Openeye Name: [7-(benzylamino)-2-piperazin-1-yl-4-thiomorpholino-pteridin-6-yl]sulfanyl-phenyl-methanolate CAS Name: phenyl-[[7-[(phenylmethyl)amino]-2-(1-piperazinyl)-4-thiomorpholin-4-yl-6-pteridinyl]thio]methanolate IUPAC Name: [7-(benzylamino)-2-piperazin-1-yl-4-thiomorpholin-4-ylpteridin-6-yl]sulfanyl-phenylmethanolate Traditional Name: [[7-(benzylamino)-2-piperazino-4-thiomorpholino-pteridin-6-yl]thio]-phenyl-methanolate Formula: C28H31N8OS2- MolecularWeight: 559.72874

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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)SC(C6=CC=CC=C6)[O-]

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C(=N2)N4CCSCC4)N=C(C(=N3)NCC5=CC=CC=C5)SC(C6=CC=CC=C6)[O-]

InChI

InChI=1S/C28H31N8OS2/c37-27(21-9-5-2-6-10-21)39-26-24(30-19-20-7-3-1-4-8-20)32-23-22(31-26)25(35-15-17-38-18-16-35)34-28(33-23)36-13-11-29-12-14-36/h1-10,27,29H,11-19H2,(H,30,32,33,34)/q-1