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

Systemtic Name: 5,6-dimethyl-3-(phenylmethyl)-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Openeye Name: 3-benzyl-5,6-dimethyl-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-amine CAS Name: 5,6-dimethyl-3-(phenylmethyl)-7-(2-thiazolyl)-4-pyrrolo[2,3-d]pyrimidin-3-iumamine IUPAC Name: 3-benzyl-5,6-dimethyl-7-(1,3-thiazol-2-yl)pyrrolo[2,3-d]pyrimidin-3-ium-4-amine Traditional Name: (3-benzyl-5,6-dimethyl-7-thiazol-2-yl-pyrrolo[2,3-d]pyrimidin-3-ium-4-yl)amine Formula: C18H18N5S+ MolecularWeight: 336.43402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5S/c1-12-13(2)23(18-20-8-9-24-18)17-15(12)16(19)22(11-21-17)10-14-6-4-3-5-7-14/h3-9,11,19H,10H2,1-2H3/p+1