N-hexadecyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine

Systemtic Name: N-hexadecyl-5-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-amine Openeye Name: N-hexadecyl-5-(2-thienyl)thieno[2,3-d]pyrimidin-4-amine CAS Name: N-hexadecyl-5-thiophen-2-yl-4-thieno[2,3-d]pyrimidinamine IUPAC Name: N-hexadecyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine Traditional Name: cetyl-[5-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]amine Formula: C26H39N3S2 MolecularWeight: 457.73796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C2C(=CSC2=NC=N1)C3=CC=CS3

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C2C(=CSC2=NC=N1)C3=CC=CS3

InChI

InChI=1S/C26H39N3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-25-24-22(23-17-16-19-30-23)20-31-26(24)29-21-28-25/h16-17,19-21H,2-15,18H2,1H3,(H,27,28,29)