5-methyl-6-naphthalen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine

Systemtic Name: 5-methyl-6-naphthalen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Openeye Name: 5-methyl-6-(2-naphthylsulfanyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine CAS Name: 5-methyl-6-(2-naphthalenylthio)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine IUPAC Name: 5-methyl-6-naphthalen-2-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-methyl-6-(2-naphthylthio)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amine Formula: C17H15N5S MolecularWeight: 321.3995

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=NC(=N2)N)N)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC1=C(NC2=C1C(=NC(=N2)N)N)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C17H15N5S/c1-9-13-14(18)20-17(19)22-15(13)21-16(9)23-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,1H3,(H5,18,19,20,21,22)