4-azanyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide

Systemtic Name: 4-azanyl-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4-amino-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4-amino-7-phenethyl-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-7-phenethylpyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4-amino-7-phenethyl-pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C15H15N5S MolecularWeight: 297.3781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN2C=C(C3=C2N=CN=C3N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCN2C=C(C3=C2N=CN=C3N)C(=S)N

InChI

InChI=1S/C15H15N5S/c16-13-12-11(14(17)21)8-20(15(12)19-9-18-13)7-6-10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,17,21)(H2,16,18,19)