5,6-dimethyl-3-(pyridin-3-ylmethyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine

Systemtic Name: 5,6-dimethyl-3-(pyridin-3-ylmethyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 5,6-dimethyl-3-(3-pyridylmethyl)-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(3-pyridinylmethyl)-7-(2-thiazolyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 5,6-dimethyl-3-(pyridin-3-ylmethyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [5,6-dimethyl-3-(3-pyridylmethyl)-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C17H17N6S+ MolecularWeight: 337.42208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)C4=NC=CS4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CN=CC=C3)N)C4=NC=CS4)C

InChI

InChI=1S/C17H16N6S/c1-11-12(2)23(17-20-6-7-24-17)16-14(11)15(18)22(10-21-16)9-13-4-3-5-19-8-13/h3-8,10,18H,9H2,1-2H3/p+1