N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(6-phenyl-4-thieno[2,3-d]pyrimidinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(6-phenylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: (6-phenylthieno[2,3-d]pyrimidin-4-yl)-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C19H18N5S+ MolecularWeight: 348.44472

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCNC4=CC=CC=[NH+]4

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(N=CN=C3S2)NCCNC4=CC=CC=[NH+]4

InChI

InChI=1S/C19H17N5S/c1-2-6-14(7-3-1)16-12-15-18(23-13-24-19(15)25-16)22-11-10-21-17-8-4-5-9-20-17/h1-9,12-13H,10-11H2,(H,20,21)(H,22,23,24)/p+1