N4,N4,N7,N7-tetramethyl-6-(phenylmethylsulfanyl)-2-piperazin-1-yl-pteridine-4,7-diamine

Systemtic Name: N4,N4,N7,N7-tetramethyl-6-(phenylmethylsulfanyl)-2-piperazin-1-yl-pteridine-4,7-diamine Openeye Name: 6-benzylsulfanyl-N4,N4,N7,N7-tetramethyl-2-piperazin-1-yl-pteridine-4,7-diamine CAS Name: N4,N4,N7,N7-tetramethyl-6-(phenylmethylthio)-2-(1-piperazinyl)pteridine-4,7-diamine IUPAC Name: 6-benzylsulfanyl-4-N,4-N,7-N,7-N-tetramethyl-2-piperazin-1-ylpteridine-4,7-diamine Traditional Name: [6-(benzylthio)-4-(dimethylamino)-2-piperazino-pteridin-7-yl]-dimethyl-amine Formula: C21H28N8S MolecularWeight: 424.56562

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC2=C1N=C(C(=N2)N(C)C)SCC3=CC=CC=C3)N4CCNCC4

Isomeric SMILES

CN(C)C1=NC(=NC2=C1N=C(C(=N2)N(C)C)SCC3=CC=CC=C3)N4CCNCC4

InChI

InChI=1S/C21H28N8S/c1-27(2)18-16-17(25-21(26-18)29-12-10-22-11-13-29)24-19(28(3)4)20(23-16)30-14-15-8-6-5-7-9-15/h5-9,22H,10-14H2,1-4H3