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

Systemtic Name: 4-azanyl-7-(3-phenylpropyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Openeye Name: 4-amino-7-(3-phenylpropyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide CAS Name: 4-amino-7-(3-phenylpropyl)-5-pyrrolo[2,3-d]pyrimidinecarbothioamide IUPAC Name: 4-amino-7-(3-phenylpropyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Traditional Name: 4-amino-7-(3-phenylpropyl)pyrrolo[2,3-d]pyrimidine-5-carbothioamide Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCN2C=C(C3=C2N=CN=C3N)C(=S)N

Isomeric SMILES

C1=CC=C(C=C1)CCCN2C=C(C3=C2N=CN=C3N)C(=S)N

InChI

InChI=1S/C16H17N5S/c17-14-13-12(15(18)22)9-21(16(13)20-10-19-14)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H2,18,22)(H2,17,19,20)