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

Systemtic Name: [7-[(phenylmethyl)amino]-2-piperazin-1-yl-4-thiomorpholin-4-yl-pteridin-6-yl]sulfanylmethanolate Openeye Name: [7-(benzylamino)-2-piperazin-1-yl-4-thiomorpholino-pteridin-6-yl]sulfanylmethanolate CAS Name: [[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]sulfanylmethanolate Traditional Name: [[7-(benzylamino)-2-piperazino-4-thiomorpholino-pteridin-6-yl]thio]methanolate Formula: C22H27N8OS2- MolecularWeight: 483.63278

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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[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H27N8OS2/c31-15-33-21-19(24-14-16-4-2-1-3-5-16)26-18-17(25-21)20(29-10-12-32-13-11-29)28-22(27-18)30-8-6-23-7-9-30/h1-5,23H,6-15H2,(H,24,26,27,28)/q-1