6-[(2-azanylidenepyrrolidin-1-yl)methyl]-5-chloranyl-1H-pyrimidine-2,4-dione; 4-methylbenzenesulfonic acid

Systemtic Name: 6-[(2-azanylidenepyrrolidin-1-yl)methyl]-5-chloranyl-1H-pyrimidine-2,4-dione; 4-methylbenzenesulfonic acid Openeye Name: 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione; 4-methylbenzenesulfonic acid CAS Name: 5-chloro-6-[(2-imino-1-pyrrolidinyl)methyl]-1H-pyrimidine-2,4-dione; 4-methylbenzenesulfonic acid IUPAC Name: 5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1H-pyrimidine-2,4-dione; 4-methylbenzenesulfonic acid Traditional Name: 5-chloro-6-[(2-iminopyrrolidino)methyl]uracil; tosylic acid Formula: C16H19ClN4O5S MolecularWeight: 414.86386

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CC(=N)N(C1)CC2=C(C(=O)NC(=O)N2)Cl

InChI

InChI=1S/C9H11ClN4O2.C7H8O3S/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11;1-6-2-4-7(5-3-6)11(8,9)10/h11H,1-4H2,(H2,12,13,15,16);2-5H,1H3,(H,8,9,10)