(2R,3S)-1,4-bis(azanylidene)-1-(4-azanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(4-methylphenyl)sulfanyl-pentane-2,3-diol

Systemtic Name: (2R,3S)-1,4-bis(azanylidene)-1-(4-azanyl-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(4-methylphenyl)sulfanyl-pentane-2,3-diol Openeye Name: (2R,3S)-1-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-diimino-5-(p-tolylsulfanyl)pentane-2,3-diol CAS Name: (2R,3S)-1-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-diimino-5-[(4-methylphenyl)thio]pentane-2,3-diol IUPAC Name: (2R,3S)-1-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-diimino-5-(4-methylphenyl)sulfanylpentane-2,3-diol Traditional Name: (2R,3S)-1-(4-amino-7H-pyrrolo[3,2-d]pyrimidin-7-yl)-1,4-diimino-5-(p-tolylthio)pentane-2,3-diol Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=N)C(C(C(=N)C2C=NC3=C2N=CN=C3N)O)O

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=N)[C@@H]([C@@H](C(=N)C2C=NC3=C2N=CN=C3N)O)O

InChI

InChI=1S/C18H20N6O2S/c1-9-2-4-10(5-3-9)27-7-12(19)16(25)17(26)13(20)11-6-22-15-14(11)23-8-24-18(15)21/h2-6,8,11,16-17,19-20,25-26H,7H2,1H3,(H2,21,23,24)/t11?,16-,17+/m0/s1