5-(1-benzothiophen-3-ylmethyl)pyrimidine-2,4-diamine

Systemtic Name: 5-(1-benzothiophen-3-ylmethyl)pyrimidine-2,4-diamine Openeye Name: 5-(benzothiophen-3-ylmethyl)pyrimidine-2,4-diamine CAS Name: 5-(1-benzothiophen-3-ylmethyl)pyrimidine-2,4-diamine IUPAC Name: 5-(1-benzothiophen-3-ylmethyl)pyrimidine-2,4-diamine Traditional Name: [2-amino-5-(benzothiophen-3-ylmethyl)pyrimidin-4-yl]amine Formula: C13H12N4S MolecularWeight: 256.32618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CS2)CC3=CN=C(N=C3N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CS2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C13H12N4S/c14-12-8(6-16-13(15)17-12)5-9-7-18-11-4-2-1-3-10(9)11/h1-4,6-7H,5H2,(H4,14,15,16,17)