(3-cyclopropyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: (3-cyclopropyl-5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-(hydroxymethyl)propyl]ammonium CAS Name: (3-cyclopropyl-5,6-dimethyl-4-oxo-2-thieno[2,3-d]pyrimidinyl)methyl-[(2R)-1-hydroxybutan-2-yl]ammonium IUPAC Name: (3-cyclopropyl-5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-2-yl)methyl-[(2R)-1-hydroxybutan-2-yl]azanium Traditional Name: (3-cyclopropyl-4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl-[(1R)-1-methylolpropyl]ammonium Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3CC3

Isomeric SMILES

CC[C@H](CO)[NH2+]CC1=NC2=C(C(=C(S2)C)C)C(=O)N1C3CC3

InChI

InChI=1S/C16H23N3O2S/c1-4-11(8-20)17-7-13-18-15-14(9(2)10(3)22-15)16(21)19(13)12-5-6-12/h11-12,17,20H,4-8H2,1-3H3/p+1/t11-/m1/s1