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

Systemtic Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-(2-furylmethyl)-5,6-dimethyl-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 3-(2-furanylmethyl)-5,6-dimethyl-7-(2-thiazolyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-(furan-2-ylmethyl)-5,6-dimethyl-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: [3-(2-furfuryl)-5,6-dimethyl-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl]amine Formula: C16H16N5OS+ MolecularWeight: 326.39614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)C4=NC=CS4)C

Isomeric SMILES

CC1=C(N(C2=C1C(=[N+](C=N2)CC3=CC=CO3)N)C4=NC=CS4)C

InChI

InChI=1S/C16H15N5OS/c1-10-11(2)21(16-18-5-7-23-16)15-13(10)14(17)20(9-19-15)8-12-4-3-6-22-12/h3-7,9,17H,8H2,1-2H3/p+1