4,6-bis(azanyl)-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 4,6-bis(azanyl)-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4,6-diamino-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4,6-diamino-7-(phenoxymethyl)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4,6-diamino-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4,6-diamino-7-(phenoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCN2C(=C(C3=C2N=CN=C3N)C(=S)N)N

Isomeric SMILES

C1=CC=C(C=C1)OCN2C(=C(C3=C2N=CN=C3N)C(=S)N)N

InChI

InChI=1S/C14H14N6OS/c15-11-9-10(13(17)22)12(16)20(14(9)19-6-18-11)7-21-8-4-2-1-3-5-8/h1-6H,7,16H2,(H2,17,22)(H2,15,18,19)