N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine

Systemtic Name: N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine Openeye Name: N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-yl-ethane-1,2-diamine CAS Name: N'-(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)-N-(2-pyridin-1-iumyl)ethane-1,2-diamine IUPAC Name: N'-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-pyridin-1-ium-2-ylethane-1,2-diamine Traditional Name: (5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-[2-(pyridin-1-ium-2-ylamino)ethyl]amine Formula: C15H18N5S+ MolecularWeight: 300.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC=[NH+]3)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)NCCNC3=CC=CC=[NH+]3)C

InChI

InChI=1S/C15H17N5S/c1-10-11(2)21-15-13(10)14(19-9-20-15)18-8-7-17-12-5-3-4-6-16-12/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H,18,19,20)/p+1